methyl 3-ethyl-2-methyl-1-(phenylmethyl)benzimidazol-1-ium-5-carboxylate

Systemtic Name: methyl 3-ethyl-2-methyl-1-(phenylmethyl)benzimidazol-1-ium-5-carboxylate Openeye Name: methyl 1-benzyl-3-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 3-ethyl-2-methyl-1-(phenylmethyl)-5-benzimidazol-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-3-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 1-benzyl-3-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid methyl ester Formula: C19H21N2O2+ MolecularWeight: 309.38224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](C2=C1C=C(C=C2)C(=O)OC)CC3=CC=CC=C3)C

Isomeric SMILES

CCN1C(=[N+](C2=C1C=C(C=C2)C(=O)OC)CC3=CC=CC=C3)C

InChI

InChI=1S/C19H21N2O2/c1-4-20-14(2)21(13-15-8-6-5-7-9-15)17-11-10-16(12-18(17)20)19(22)23-3/h5-12H,4,13H2,1-3H3/q+1