N-[(Z)-(3-methylphenyl)methylideneamino]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(Z)-(3-methylphenyl)methylideneamino]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(Z)-m-tolylmethyleneamino]acetamide CAS Name: N-[(Z)-(3-methylphenyl)methylideneamino]-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(Z)-(3-methylbenzylidene)amino]acetamide Formula: C21H27N4O+ MolecularWeight: 351.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=NNC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)/C=N\NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O/c1-18-6-5-9-20(14-18)15-22-23-21(26)17-25-12-10-24(11-13-25)16-19-7-3-2-4-8-19/h2-9,14-15H,10-13,16-17H2,1H3,(H,23,26)/p+1/b22-15-