[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-[(4-fluorophenyl)amino]benzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-[(4-fluorophenyl)amino]benzoate Openeye Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-(4-fluoroanilino)benzoate CAS Name: 2-(4-fluoroanilino)benzoic acid [2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-(4-fluoroanilino)benzoate Traditional Name: 2-(4-fluoroanilino)benzoic acid [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl] ester Formula: C24H24FN4O3+ MolecularWeight: 435.470763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC(=O)C3=CC=CC=C3NC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC(=O)C3=CC=CC=C3NC4=CC=C(C=C4)F

InChI

InChI=1S/C24H23FN4O3/c25-18-8-10-19(11-9-18)27-21-6-2-1-5-20(21)24(31)32-17-23(30)29-15-13-28(14-16-29)22-7-3-4-12-26-22/h1-12,27H,13-17H2/p+1