[(Z)-1-(4-methylpiperazin-4-ium-1-yl)-2-(2-oxidanylidenepyridin-1-yl)ethenyl] benzoate

Systemtic Name: [(Z)-1-(4-methylpiperazin-4-ium-1-yl)-2-(2-oxidanylidenepyridin-1-yl)ethenyl] benzoate Openeye Name: [(Z)-1-(4-methylpiperazin-4-ium-1-yl)-2-(2-oxo-1-pyridyl)vinyl] benzoate CAS Name: benzoic acid [(Z)-1-(4-methyl-1-piperazin-4-iumyl)-2-(2-oxo-1-pyridinyl)ethenyl] ester IUPAC Name: [(Z)-1-(4-methylpiperazin-4-ium-1-yl)-2-(2-oxopyridin-1-yl)ethenyl] benzoate Traditional Name: benzoic acid [(Z)-2-(2-keto-1-pyridyl)-1-(4-methylpiperazin-4-ium-1-yl)vinyl] ester Formula: C19H22N3O3+ MolecularWeight: 340.39628

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=CN2C=CC=CC2=O)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)/C(=C/N2C=CC=CC2=O)/OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H21N3O3/c1-20-11-13-21(14-12-20)18(15-22-10-6-5-9-17(22)23)25-19(24)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3/p+1/b18-15-