propan-2-yl 2-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3-carboxylate

Systemtic Name: propan-2-yl 2-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3-carboxylate Openeye Name: isopropyl 2-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3-carboxylate CAS Name: 2-[4-(4-fluorophenyl)-1-piperazinyl]-3-pyridin-1-iumcarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3-carboxylate Traditional Name: 2-[4-(4-fluorophenyl)piperazino]pyridin-1-ium-3-carboxylic acid isopropyl ester Formula: C19H23FN3O2+ MolecularWeight: 344.403223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C([NH+]=CC=C1)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)OC(=O)C1=C([NH+]=CC=C1)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H22FN3O2/c1-14(2)25-19(24)17-4-3-9-21-18(17)23-12-10-22(11-13-23)16-7-5-15(20)6-8-16/h3-9,14H,10-13H2,1-2H3/p+1