3-(1-butylbenzimidazol-1-ium-1-yl)-2-methyl-5-(4-methylpiperidin-1-yl)-6-phenyl-benzoic acid

Systemtic Name: 3-(1-butylbenzimidazol-1-ium-1-yl)-2-methyl-5-(4-methylpiperidin-1-yl)-6-phenyl-benzoic acid Openeye Name: 3-(1-butylbenzimidazol-1-ium-1-yl)-2-methyl-5-(4-methyl-1-piperidyl)-6-phenyl-benzoic acid CAS Name: 3-(1-butyl-1-benzimidazol-1-iumyl)-2-methyl-5-(4-methyl-1-piperidinyl)-6-phenylbenzoic acid IUPAC Name: 3-(1-butylbenzimidazol-1-ium-1-yl)-2-methyl-5-(4-methylpiperidin-1-yl)-6-phenylbenzoic acid Traditional Name: 3-(1-butylbenzimidazol-1-ium-1-yl)-2-methyl-5-(4-methylpiperidino)-6-phenyl-benzoic acid Formula: C31H36N3O2+ MolecularWeight: 482.63644

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C=NC2=CC=CC=C21)C3=C(C(=C(C(=C3)N4CCC(CC4)C)C5=CC=CC=C5)C(=O)O)C

Isomeric SMILES

CCCC[N+]1(C=NC2=CC=CC=C21)C3=C(C(=C(C(=C3)N4CCC(CC4)C)C5=CC=CC=C5)C(=O)O)C

InChI

InChI=1S/C31H35N3O2/c1-4-5-19-34(21-32-25-13-9-10-14-27(25)34)28-20-26(33-17-15-22(2)16-18-33)30(24-11-7-6-8-12-24)29(23(28)3)31(35)36/h6-14,20-22H,4-5,15-19H2,1-3H3/p+1