2-[4-[(Z)-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylhydrazinylidene]methyl]phenoxy]ethanoate

Systemtic Name: 2-[4-[(Z)-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylhydrazinylidene]methyl]phenoxy]ethanoate Openeye Name: 2-[4-[(Z)-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylhydrazono]methyl]phenoxy]acetate CAS Name: 2-[4-[(Z)-[[1-oxo-3-(4-phenyl-1-piperazin-1-iumyl)propyl]hydrazinylidene]methyl]phenoxy]acetate IUPAC Name: 2-[4-[(Z)-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylhydrazinylidene]methyl]phenoxy]acetate Traditional Name: 2-[4-[(Z)-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylhydrazono]methyl]phenoxy]acetate Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4/c27-21(24-23-16-18-6-8-20(9-7-18)30-17-22(28)29)10-11-25-12-14-26(15-13-25)19-4-2-1-3-5-19/h1-9,16H,10-15,17H2,(H,24,27)(H,28,29)/b23-16-