Input interpretation
4 methylbenzyl trimethylammonium chloride | 4 dimethylamino benzylamine dihydrochloride
Basic properties
| molar mass | formula | SMILES identifier 4 methylbenzyl trimethylammonium chloride | 199.7 g/mol | C_11H_18ClN | CC1=CC=C(C=C1)C[N+](C)(C)C.[Cl-] 4 dimethylamino benzylamine dihydrochloride | 223.1 g/mol | C_9H_16Cl_2N_2 | CN(C)C1=CC=C(C=C1)CN.Cl.Cl | InChI identifier | InChI key 4 methylbenzyl trimethylammonium chloride | InChI=1/C11H18N.ClH/c1-10-5-7-11(8-6-10)9-12(2, 3)4;/h5-8H, 9H2, 1-4H3;1H/q+1;/p-1/fC11H18N.Cl/h;1h/qm;-1 | PMDRJZUQYMFWSP-UHFFFAOYSA-M 4 dimethylamino benzylamine dihydrochloride | InChI=1/C9H14N2.2ClH/c1-11(2)9-5-3-8(7-10)4-6-9;;/h3-6H, 7, 10H2, 1-2H3;2*1H | NRZQHDOWSPJUQW-UHFFFAOYSA-N
Quantitative molecular descriptors
| 4 methylbenzyl trimethylammonium chloride | 4 dimethylamino benzylamine dihydrochloride longest chain length | 8 atoms | 8 atoms longest straight chain length | 3 atoms | 3 atoms longest aliphatic chain length | 0 atoms | 0 atoms aromatic atom count | 6 atoms | 6 atoms H-bond acceptor count | 0 atoms | 2 atoms H-bond donor count | 0 atoms | 1 atom
Elemental oxidation states
oxidation state | element | | -3 | C | 1 | | N | 1 | 2 -2 | C | 3 | 2 -1 | C | 5 | 5 | Cl | 1 | 2 0 | C | 2 | 1 +1 | C | | 1 | H | 18 | 16
Orbital hybridization
hybridization | element | | sp^2 | C | 6 | 6 | N | | 1 sp^3 | C | 5 | 3 | Cl | | 2 | N | 1 | 1
Topological indices
| 4 methylbenzyl trimethylammonium chloride | 4 dimethylamino benzylamine dihydrochloride vertex count | 31 | 29 edge count | 30 | 27 Schultz index | | Wiener index | | Hosoya index | | Balaban index | |