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

Systemtic Name: 4-[(E)-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanoylhydrazinylidene]methyl]benzoate Openeye Name: 4-[(E)-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]hydrazono]methyl]benzoate CAS Name: 4-[(E)-[[1-oxo-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]ethyl]hydrazinylidene]methyl]benzoate IUPAC Name: 4-[(E)-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]hydrazinylidene]methyl]benzoate Traditional Name: 4-[(E)-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]hydrazono]methyl]benzoate Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N/N=C/C2=CC=C(C=C2)C(=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O3/c26-20(23-22-14-17-6-8-19(9-7-17)21(27)28)16-25-12-10-24(11-13-25)15-18-4-2-1-3-5-18/h1-9,14H,10-13,15-16H2,(H,23,26)(H,27,28)/b22-14+