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

Systemtic Name: prop-2-enyl 6-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3-carboxylate Openeye Name: allyl 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 prop-2-enyl ester IUPAC Name: prop-2-enyl 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 allyl ester Formula: C19H21FN3O2+ MolecularWeight: 342.387343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN3O2/c1-2-13-25-19(24)15-7-8-18(21-14-15)23-11-9-22(10-12-23)17-6-4-3-5-16(17)20/h2-8,14H,1,9-13H2/p+1