methyl 6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3-carboxylate Openeye Name: methyl 6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3-carboxylate CAS Name: 6-[4-(2-fluorophenyl)-1-piperazinyl]-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3-carboxylate Traditional Name: 6-[4-(2-fluorophenyl)piperazino]pyridin-1-ium-3-carboxylic acid methyl ester Formula: C17H19FN3O2+ MolecularWeight: 316.350063

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C[NH+]=C(C=C1)N2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

COC(=O)C1=C[NH+]=C(C=C1)N2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C17H18FN3O2/c1-23-17(22)13-6-7-16(19-12-13)21-10-8-20(9-11-21)15-5-3-2-4-14(15)18/h2-7,12H,8-11H2,1H3/p+1