Input interpretation
acetyl-1-13 C-L-carnitine hydrochloride
Chemical names and formulas
![formula | HO_2CCH_2CH(O_2^13CCH_3)CH_2N(CH_3)_3Cl Hill formula | C_8(13C)H_18ClNO_4 name | acetyl-1-13 C-L-carnitine hydrochloride IUPAC name | [(2R)-4-hydroxy-4-oxo-2-(1-oxoethoxy)butyl]-trimethylammonium chloride alternate names | [(2R)-2-acetyloxy-4-hydroxy-4-keto-butyl]-trimethyl-ammonium chloride | [(2R)-2-acetyloxy-4-hydroxy-4-oxo-butyl]-trimethyl-ammonium chloride | [(2R)-2-acetyloxy-4-hydroxy-4-oxobutyl]-trimethylazanium chloride | [(2R)-2-ethanoyloxy-4-hydroxy-4-oxo-butyl]-trimethyl-azanium chloride mass fractions | Cl (chlorine) 0.147% | O (oxygen) 0.266% | N (nitrogen) 0.0582% | C (carbon) 0.453% | H (hydrogen) 0.0754%](../image_source/0f0b6bc8ce581c48a1d042926a1d8c0f.png)
formula | HO_2CCH_2CH(O_2^13CCH_3)CH_2N(CH_3)_3Cl Hill formula | C_8(13C)H_18ClNO_4 name | acetyl-1-13 C-L-carnitine hydrochloride IUPAC name | [(2R)-4-hydroxy-4-oxo-2-(1-oxoethoxy)butyl]-trimethylammonium chloride alternate names | [(2R)-2-acetyloxy-4-hydroxy-4-keto-butyl]-trimethyl-ammonium chloride | [(2R)-2-acetyloxy-4-hydroxy-4-oxo-butyl]-trimethyl-ammonium chloride | [(2R)-2-acetyloxy-4-hydroxy-4-oxobutyl]-trimethylazanium chloride | [(2R)-2-ethanoyloxy-4-hydroxy-4-oxo-butyl]-trimethyl-azanium chloride mass fractions | Cl (chlorine) 0.147% | O (oxygen) 0.266% | N (nitrogen) 0.0582% | C (carbon) 0.453% | H (hydrogen) 0.0754%
Structure diagram
Structure diagram
vertex count | 15 edge count | 14 Schultz index | 1168 Wiener index | 322 Hosoya index | 264 Balaban index | 4.107
Basic properties
molar mass | 240.69 g/mol phase | solid (at STP) melting point | 194 °C
Units
Non-standard atom properties
C-13 | 1
Chemical identifiers
(C)C.[Cl-] InChI identifier | InChI=1/C9H17NO4.ClH/c1-7(11)14-8(5-9(12)13)6-10(2, 3)4;/h8H, 5-6H2, 1-4H3;1H/t8-;/m1./s1/i7+1;/fC9H18NO4.Cl/h12H;1h/q+1;-1](../image_source/8bd3daab66b1575552698d1270bf2df6.png)
CAS number | 287389-45-1 PubChem CID number | 16213522 PubChem SID number | 24872678 SMILES identifier | CC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-] InChI identifier | InChI=1/C9H17NO4.ClH/c1-7(11)14-8(5-9(12)13)6-10(2, 3)4;/h8H, 5-6H2, 1-4H3;1H/t8-;/m1./s1/i7+1;/fC9H18NO4.Cl/h12H;1h/q+1;-1