2-[(E)-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanoylhydrazinylidene]methyl]-6-prop-2-enyl-phenolate

Systemtic Name: 2-[(E)-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanoylhydrazinylidene]methyl]-6-prop-2-enyl-phenolate Openeye Name: 2-allyl-6-[(E)-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]hydrazono]methyl]phenolate CAS Name: 2-[(E)-[[1-oxo-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]ethyl]hydrazinylidene]methyl]-6-prop-2-enylphenolate IUPAC Name: 2-[(E)-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]hydrazinylidene]methyl]-6-prop-2-enylphenolate Traditional Name: 2-allyl-6-[(E)-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]hydrazono]methyl]phenolate Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC(=C1[O-])C=NNC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

C=CCC1=CC=CC(=C1[O-])/C=N/NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O2/c1-2-7-20-10-6-11-21(23(20)29)16-24-25-22(28)18-27-14-12-26(13-15-27)17-19-8-4-3-5-9-19/h2-6,8-11,16,29H,1,7,12-15,17-18H2,(H,25,28)/b24-16+