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

Systemtic Name: ethyl 3-(diphenylmethyl)-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 3-benzhydryl-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 3-(diphenylmethyl)-1-ethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzhydryl-1-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 3-benzhydryl-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C26H27N2O2+ MolecularWeight: 399.50478

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)C(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)C(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C26H27N2O2/c1-4-27-19(3)28(24-18-22(16-17-23(24)27)26(29)30-5-2)25(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-18,25H,4-5H2,1-3H3/q+1