2-[(E)-[[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]carbonylhydrazinylidene]methyl]phenolate

Systemtic Name: 2-[(E)-[[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]carbonylhydrazinylidene]methyl]phenolate Openeye Name: 2-[(E)-[[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzoyl]hydrazono]methyl]phenolate CAS Name: 2-[(E)-[[oxo-[4-[(4-phenyl-1-piperazin-1-iumyl)methyl]phenyl]methyl]hydrazinylidene]methyl]phenolate IUPAC Name: 2-[(E)-[[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzoyl]hydrazinylidene]methyl]phenolate Traditional Name: 2-[(E)-[[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzoyl]hydrazono]methyl]phenolate Formula: C25H26N4O2 MolecularWeight: 414.49954

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(=O)NN=CC3=CC=CC=C3[O-])C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(=O)N/N=C/C3=CC=CC=C3[O-])C4=CC=CC=C4

InChI

InChI=1S/C25H26N4O2/c30-24-9-5-4-6-22(24)18-26-27-25(31)21-12-10-20(11-13-21)19-28-14-16-29(17-15-28)23-7-2-1-3-8-23/h1-13,18,30H,14-17,19H2,(H,27,31)/b26-18+