methyl 4-(4-fluorophenyl)-1-methyl-pyridin-1-ium-3-carboxylate bromide

Systemtic Name: methyl 4-(4-fluorophenyl)-1-methyl-pyridin-1-ium-3-carboxylate bromide Openeye Name: methyl 4-(4-fluorophenyl)-1-methyl-pyridin-1-ium-3-carboxylate bromide CAS Name: 4-(4-fluorophenyl)-1-methyl-3-pyridin-1-iumcarboxylic acid methyl ester bromide IUPAC Name: methyl 4-(4-fluorophenyl)-1-methylpyridin-1-ium-3-carboxylate bromide Traditional Name: 4-(4-fluorophenyl)-1-methyl-pyridin-1-ium-3-carboxylic acid methyl ester bromide Formula: C14H13BrFNO2 MolecularWeight: 326.160923

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=C(C=C1)C2=CC=C(C=C2)F)C(=O)OC.[Br-]

Isomeric SMILES

C[N+]1=CC(=C(C=C1)C2=CC=C(C=C2)F)C(=O)OC.[Br-]

InChI

InChI=1S/C14H13FNO2.BrH/c1-16-8-7-12(13(9-16)14(17)18-2)10-3-5-11(15)6-4-10;/h3-9H,1-2H3;1H/q+1;/p-1