4-[(Z)-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylhydrazinylidene]methyl]benzoate

Systemtic Name: 4-[(Z)-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylhydrazinylidene]methyl]benzoate Openeye Name: 4-[(Z)-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylhydrazono]methyl]benzoate CAS Name: 4-[(Z)-[[1-oxo-3-(4-phenyl-1-piperazin-1-iumyl)propyl]hydrazinylidene]methyl]benzoate IUPAC Name: 4-[(Z)-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylhydrazinylidene]methyl]benzoate Traditional Name: 4-[(Z)-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylhydrazono]methyl]benzoate Formula: C21H24N4O3 MolecularWeight: 380.44026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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