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

Systemtic Name: N-(4-methylphenyl)-4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(4-methylanilino)-2-oxo-ethyl]-N-(p-tolyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-keto-2-(p-toluidino)ethyl]-N-(p-tolyl)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)NC3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)NC3=CC=C(C=C3)C

InChI

InChI=1S/C21H26N4O2/c1-16-3-7-18(8-4-16)22-20(26)15-24-11-13-25(14-12-24)21(27)23-19-9-5-17(2)6-10-19/h3-10H,11-15H2,1-2H3,(H,22,26)(H,23,27)/p+1