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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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