1-[(1-methylbenzimidazol-2-yl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(1-methylbenzimidazol-2-yl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1-methylbenzimidazol-2-yl)methyl]-N-[4-(m-tolyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(1-methyl-2-benzimidazolyl)methyl]-N-[4-(3-methylphenyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(1-methylbenzimidazol-2-yl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1-methylbenzimidazol-2-yl)methyl]-N-[4-(m-tolyl)phenyl]piperidin-1-ium-4-carboxamide Formula: C28H31N4O+ MolecularWeight: 439.57194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)CC4=NC5=CC=CC=C5N4C

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)CC4=NC5=CC=CC=C5N4C

InChI

InChI=1S/C28H30N4O/c1-20-6-5-7-23(18-20)21-10-12-24(13-11-21)29-28(33)22-14-16-32(17-15-22)19-27-30-25-8-3-4-9-26(25)31(27)2/h3-13,18,22H,14-17,19H2,1-2H3,(H,29,33)/p+1