1-(2-methylphenyl)carbonyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-(2-methylphenyl)carbonyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Openeye Name: 1-(2-methylbenzoyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide CAS Name: 1-[(2-methylphenyl)-oxomethyl]-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-methylbenzoyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Traditional Name: 1-o-toluoyl-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]isonipecotamide Formula: C27H36N3O2+ MolecularWeight: 434.59364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C27H35N3O2/c1-21-7-3-4-8-25(21)27(32)30-17-13-24(14-18-30)26(31)28-19-22-9-11-23(12-10-22)20-29-15-5-2-6-16-29/h3-4,7-12,24H,2,5-6,13-20H2,1H3,(H,28,31)/p+1