1-[(4-chlorophenyl)methyl]-1-cyclohexyl-2-phenyl-4-piperidin-4-yloxy-benzimidazol-1-ium-5-carboxylic acid

Systemtic Name: 1-[(4-chlorophenyl)methyl]-1-cyclohexyl-2-phenyl-4-piperidin-4-yloxy-benzimidazol-1-ium-5-carboxylic acid Openeye Name: 1-[(4-chlorophenyl)methyl]-1-cyclohexyl-2-phenyl-4-(4-piperidyloxy)benzimidazol-1-ium-5-carboxylic acid CAS Name: 1-[(4-chlorophenyl)methyl]-1-cyclohexyl-2-phenyl-4-(4-piperidinyloxy)-5-benzimidazol-1-iumcarboxylic acid IUPAC Name: 1-[(4-chlorophenyl)methyl]-1-cyclohexyl-2-phenyl-4-piperidin-4-yloxybenzimidazol-1-ium-5-carboxylic acid Traditional Name: 1-(4-chlorobenzyl)-1-cyclohexyl-2-phenyl-4-(4-piperidyloxy)benzimidazol-1-ium-5-carboxylic acid Formula: C32H35ClN3O3+ MolecularWeight: 545.0916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[N+]2(C3=C(C(=C(C=C3)C(=O)O)OC4CCNCC4)N=C2C5=CC=CC=C5)CC6=CC=C(C=C6)Cl

Isomeric SMILES

C1CCC(CC1)[N+]2(C3=C(C(=C(C=C3)C(=O)O)OC4CCNCC4)N=C2C5=CC=CC=C5)CC6=CC=C(C=C6)Cl

InChI

InChI=1S/C32H34ClN3O3/c33-24-13-11-22(12-14-24)21-36(25-9-5-2-6-10-25)28-16-15-27(32(37)38)30(39-26-17-19-34-20-18-26)29(28)35-31(36)23-7-3-1-4-8-23/h1,3-4,7-8,11-16,25-26,34H,2,5-6,9-10,17-21H2/p+1