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

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-[(4-fluorophenyl)methoxy]benzoate Openeye Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-[(4-fluorophenyl)methoxy]benzoate CAS Name: 2-[(4-fluorophenyl)methoxy]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-fluorophenyl)methoxy]benzoate Traditional Name: 2-(4-fluorobenzyl)oxybenzoic acid [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl] ester Formula: C25H25FN3O4+ MolecularWeight: 450.482103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC(=O)C3=CC=CC=C3OCC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC(=O)C3=CC=CC=C3OCC4=CC=C(C=C4)F

InChI

InChI=1S/C25H24FN3O4/c26-20-10-8-19(9-11-20)17-32-22-6-2-1-5-21(22)25(31)33-18-24(30)29-15-13-28(14-16-29)23-7-3-4-12-27-23/h1-12H,13-18H2/p+1