2-[(E)-C-methyl-N-[[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]carbonylamino]carbonimidoyl]phenolate

Systemtic Name: 2-[(E)-C-methyl-N-[[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]carbonylamino]carbonimidoyl]phenolate Openeye Name: 2-[(E)-C-methyl-N-[[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzoyl]amino]carbonimidoyl]phenolate CAS Name: 2-[(1E)-1-[[oxo-[4-[(4-phenyl-1-piperazin-1-iumyl)methyl]phenyl]methyl]hydrazinylidene]ethyl]phenolate IUPAC Name: 2-[(E)-C-methyl-N-[[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzoyl]amino]carbonimidoyl]phenolate Traditional Name: 2-[(E)-C-methyl-N-[[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzoyl]amino]carbonimidoyl]phenolate Formula: C26H28N4O2 MolecularWeight: 428.52612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O2/c1-20(24-9-5-6-10-25(24)31)27-28-26(32)22-13-11-21(12-14-22)19-29-15-17-30(18-16-29)23-7-3-2-4-8-23/h2-14,31H,15-19H2,1H3,(H,28,32)/b27-20+