methyl 2-butyl-3-(2-chlorophenyl)-3-methyl-6-phenyl-benzimidazol-3-ium-4-carboxylate

Systemtic Name: methyl 2-butyl-3-(2-chlorophenyl)-3-methyl-6-phenyl-benzimidazol-3-ium-4-carboxylate Openeye Name: methyl 2-butyl-3-(2-chlorophenyl)-3-methyl-6-phenyl-benzimidazol-3-ium-4-carboxylate CAS Name: 2-butyl-3-(2-chlorophenyl)-3-methyl-6-phenyl-4-benzimidazol-3-iumcarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-3-(2-chlorophenyl)-3-methyl-6-phenylbenzimidazol-3-ium-4-carboxylate Traditional Name: 2-butyl-3-(2-chlorophenyl)-3-methyl-6-phenyl-benzimidazol-3-ium-4-carboxylic acid methyl ester Formula: C26H26ClN2O2+ MolecularWeight: 433.94984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC(=CC(=C2[N+]1(C)C3=CC=CC=C3Cl)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=NC2=CC(=CC(=C2[N+]1(C)C3=CC=CC=C3Cl)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C26H26ClN2O2/c1-4-5-15-24-28-22-17-19(18-11-7-6-8-12-18)16-20(26(30)31-3)25(22)29(24,2)23-14-10-9-13-21(23)27/h6-14,16-17H,4-5,15H2,1-3H3/q+1