3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]propanamide

Systemtic Name: 3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]propanamide Openeye Name: 3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methyleneamino]propanamide CAS Name: 3-(4-phenyl-1-piperazin-1-iumyl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]propanamide IUPAC Name: 3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]propanamide Traditional Name: 3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-(2,3,4-trimethoxybenzylidene)amino]propionamide Formula: C23H31N4O4+ MolecularWeight: 427.51664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=NNC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)/C=N\NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3)OC)OC

InChI

InChI=1S/C23H30N4O4/c1-29-20-10-9-18(22(30-2)23(20)31-3)17-24-25-21(28)11-12-26-13-15-27(16-14-26)19-7-5-4-6-8-19/h4-10,17H,11-16H2,1-3H3,(H,25,28)/p+1/b24-17-