1-(2-methylphenyl)carbonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide

Systemtic Name: 1-(2-methylphenyl)carbonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide CAS Name: 1-[(2-methylphenyl)-oxomethyl]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-o-toluoyl-isonipecotamide Formula: C26H34N3O2+ MolecularWeight: 420.56706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O2/c1-20-7-5-6-10-24(20)26(31)29-17-11-22(12-18-29)25(30)27-23-13-15-28(16-14-23)19-21-8-3-2-4-9-21/h2-10,22-23H,11-19H2,1H3,(H,27,30)/p+1