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

Systemtic Name: 4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-benzyl-4-[2-(4-methylanilino)-2-oxo-ethyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(4-methylanilino)-2-oxoethyl]-N-(phenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-benzyl-4-[2-(4-methylanilino)-2-oxoethyl]piperazin-4-ium-1-carboxamide Traditional Name: N-benzyl-4-[2-keto-2-(p-toluidino)ethyl]piperazin-4-ium-1-carboxamide Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O2/c1-17-7-9-19(10-8-17)23-20(26)16-24-11-13-25(14-12-24)21(27)22-15-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,22,27)(H,23,26)/p+1