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

Systemtic Name: [2-methoxy-4-[(Z)-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylhydrazinylidene]methyl]phenyl] thiophene-2-carboxylate Openeye Name: [2-methoxy-4-[(Z)-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylhydrazono]methyl]phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic 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] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-methoxy-4-[(Z)-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylhydrazono]methyl]phenyl] ester Formula: C26H29N4O4S+ MolecularWeight: 493.59786

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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=CC=CS4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N\NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3)OC(=O)C4=CC=CS4

InChI

InChI=1S/C26H28N4O4S/c1-33-23-18-20(9-10-22(23)34-26(32)24-8-5-17-35-24)19-27-28-25(31)11-12-29-13-15-30(16-14-29)21-6-3-2-4-7-21/h2-10,17-19H,11-16H2,1H3,(H,28,31)/p+1/b27-19-