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

Systemtic Name: N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-[(Z)-(2,3-dimethoxyphenyl)methyleneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-3-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-[(Z)-(2,3-dimethoxybenzylidene)amino]-3-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3/c1-28-20-10-6-7-18(22(20)29-2)17-23-24-21(27)11-12-25-13-15-26(16-14-25)19-8-4-3-5-9-19/h3-10,17H,11-16H2,1-2H3,(H,24,27)/p+1/b23-17-