N-(4-methylphenyl)-2-[4-(N-methyl-C-phenyl-carbonimidoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[4-(N-methyl-C-phenyl-carbonimidoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(N-methyl-C-phenyl-carbonimidoyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[methylimino(phenyl)methyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: N-(4-methylphenyl)-2-[4-(N-methyl-C-phenylcarbonimidoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(N-methyl-C-phenyl-carbonimidoyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C21H27N4O+ MolecularWeight: 351.46528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O/c1-17-8-10-19(11-9-17)23-20(26)16-24-12-14-25(15-13-24)21(22-2)18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3,(H,23,26)/p+1