N-benzylcinchoninium chloride

N-benzylcinchoninium chloride

formula | C_26H_29ClN_2O name | N-benzylcinchoninium chloride IUPAC name | (S)-[(2R)-1-benzyl-5-vinyl-2-quinuclidin-1-iumyl]-(4-quinolyl)methanol chloride alternate names | BCNC | (S)-[(2R)-1-benzyl-5-vinyl-quinuclidin-1-ium-2-yl]-(4-quinolyl)methanol chloride | (S)-[(7R)-1-benzyl-5-ethenyl-1-azoniabicyclo[2.2.2]octan-7-yl]-quinolin-4-ylmethanol chloride | (S)-[(7R)-5-ethenyl-1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-7-yl]-quinolin-4-yl-methanol chloride mass fractions | C (carbon) 74.2% | Cl (chlorine) 8.42% | H (hydrogen) 6.94% | N (nitrogen) 6.65% | O (oxygen) 3.8%

Structure diagram

vertex count | 30 edge count | 34 Schultz index | 9233 Wiener index | 2056 Hosoya index | 1.957×10^6 Balaban index | 1.373

molar mass | 421 g/mol phase | solid (at STP) melting point | 256 °C

CAS number | 69221-14-3 Beilstein number | 5232950 PubChem CID number | 13095483 PubChem SID number | 24862625 SMILES identifier | C=CC1C[N+]2(CCC1CC2C(C3=CC=NC4=CC=CC=C34)O)CC5=CC=CC=C5.[Cl-] InChI identifier | InChI=1/C26H29N2O.ClH/c1-2-20-18-28(17-19-8-4-3-5-9-19)15-13-21(20)16-25(28)26(29)23-12-14-27-24-11-7-6-10-22(23)24;/h2-12, 14, 20-21, 25-26, 29H, 1, 13, 15-18H2;1H/q+1;/p-1/t20u, 21u, 25-, 26+, 28u;/m1./s1/fC26H29N2O.Cl/h;1h/qm;-1 MDL number | MFCD00082423