1-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[2-(2-methylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(2-methylanilino)-2-oxoethyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[2-(2-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[2-keto-2-(o-toluidino)ethyl]piperidin-1-ium-4-carboxamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2/c1-17-7-5-6-10-20(17)24-21(26)16-25-13-11-19(12-14-25)22(27)23-15-18-8-3-2-4-9-18/h2-10,19H,11-16H2,1H3,(H,23,27)(H,24,26)/p+1