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

Systemtic Name: 4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-N-[(4-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(4-methylanilino)-2-oxo-ethyl]-N-(p-tolylmethyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(4-methylanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(4-methylanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-keto-2-(p-toluidino)ethyl]-N-(4-methylbenzyl)piperazin-4-ium-1-carboxamide Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)C

InChI

InChI=1S/C22H28N4O2/c1-17-3-7-19(8-4-17)15-23-22(28)26-13-11-25(12-14-26)16-21(27)24-20-9-5-18(2)6-10-20/h3-10H,11-16H2,1-2H3,(H,23,28)(H,24,27)/p+1