N-[(Z)-(3-methylphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-[(Z)-(3-methylphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-[(Z)-m-tolylmethyleneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: N-[(Z)-(3-methylphenyl)methylideneamino]-3-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-[(Z)-(3-methylphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-[(Z)-(3-methylbenzylidene)amino]-3-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C21H27N4O+ MolecularWeight: 351.46528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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