3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide

Systemtic Name: 3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide Openeye Name: 3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methyleneamino]propanamide CAS Name: 3-(4-phenyl-1-piperazin-1-iumyl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide IUPAC Name: 3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide Traditional Name: 3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-(3,4,5-trimethoxybenzylidene)amino]propionamide Formula: C23H31N4O4+ MolecularWeight: 427.51664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=NNC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=N\NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

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