2-methoxy-4-[(E)-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanoylhydrazinylidene]methyl]phenolate

Systemtic Name: 2-methoxy-4-[(E)-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanoylhydrazinylidene]methyl]phenolate Openeye Name: 4-[(E)-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]hydrazono]methyl]-2-methoxy-phenolate CAS Name: 2-methoxy-4-[(E)-[[1-oxo-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]ethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 4-[(E)-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]hydrazinylidene]methyl]-2-methoxyphenolate Traditional Name: 4-[(E)-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]hydrazono]methyl]-2-methoxy-phenolate Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3)[O-]

InChI

InChI=1S/C21H26N4O3/c1-28-20-13-18(7-8-19(20)26)14-22-23-21(27)16-25-11-9-24(10-12-25)15-17-5-3-2-4-6-17/h2-8,13-14,26H,9-12,15-16H2,1H3,(H,23,27)/b22-14+