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

Systemtic Name: N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Openeye Name: N-[(Z)-(2,4-dimethoxyphenyl)methyleneamino]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide CAS Name: N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]benzamide IUPAC Name: N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Traditional Name: N-[(Z)-(2,4-dimethoxybenzylidene)amino]-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzamide Formula: C27H31N4O3+ MolecularWeight: 459.56004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)C[NH+]3CCN(CC3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)/C=N\NC(=O)C2=CC=C(C=C2)C[NH+]3CCN(CC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H30N4O3/c1-33-25-13-12-23(26(18-25)34-2)19-28-29-27(32)22-10-8-21(9-11-22)20-30-14-16-31(17-15-30)24-6-4-3-5-7-24/h3-13,18-19H,14-17,20H2,1-2H3,(H,29,32)/p+1/b28-19-