[2-methoxy-4-[(Z)-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylhydrazinylidene]methyl]phenyl] pyridine-3-carboxylate

Systemtic Name: [2-methoxy-4-[(Z)-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylhydrazinylidene]methyl]phenyl] pyridine-3-carboxylate Openeye Name: [2-methoxy-4-[(Z)-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylhydrazono]methyl]phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-methoxy-4-[(Z)-[[1-oxo-3-(4-phenyl-1-piperazin-1-iumyl)propyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(Z)-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylhydrazinylidene]methyl]phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-methoxy-4-[(Z)-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylhydrazono]methyl]phenyl] ester Formula: C27H30N5O4+ MolecularWeight: 488.5582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3)OC(=O)C4=CN=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N\NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3)OC(=O)C4=CN=CC=C4

InChI

InChI=1S/C27H29N5O4/c1-35-25-18-21(9-10-24(25)36-27(34)22-6-5-12-28-20-22)19-29-30-26(33)11-13-31-14-16-32(17-15-31)23-7-3-2-4-8-23/h2-10,12,18-20H,11,13-17H2,1H3,(H,30,33)/p+1/b29-19-