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

Systemtic Name: 2-[(E)-[[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenyl]carbonylhydrazinylidene]methyl]benzoate Openeye Name: 2-[(E)-[[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzoyl]hydrazono]methyl]benzoate CAS Name: 2-[(E)-[[oxo-[4-[(4-phenyl-1-piperazin-1-iumyl)methyl]phenyl]methyl]hydrazinylidene]methyl]benzoate IUPAC Name: 2-[(E)-[[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzoyl]hydrazinylidene]methyl]benzoate Traditional Name: 2-[(E)-[[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzoyl]hydrazono]methyl]benzoate Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(=O)NN=CC3=CC=CC=C3C(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(=O)N/N=C/C3=CC=CC=C3C(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C26H26N4O3/c31-25(28-27-18-22-6-4-5-9-24(22)26(32)33)21-12-10-20(11-13-21)19-29-14-16-30(17-15-29)23-7-2-1-3-8-23/h1-13,18H,14-17,19H2,(H,28,31)(H,32,33)/b27-18+