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

Systemtic Name: N-[(Z)-(4-ethylphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-[(Z)-(4-ethylphenyl)methyleneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: N-[(Z)-(4-ethylphenyl)methylideneamino]-3-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-[(Z)-(4-ethylphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-[(Z)-(4-ethylbenzylidene)amino]-3-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C22H29N4O+ MolecularWeight: 365.49186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=NNC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)/C=N\NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H28N4O/c1-2-19-8-10-20(11-9-19)18-23-24-22(27)12-13-25-14-16-26(17-15-25)21-6-4-3-5-7-21/h3-11,18H,2,12-17H2,1H3,(H,24,27)/p+1/b23-18-