(3S,4S)-4-(4-fluorophenyl)-1-methyl-piperidin-1-ium-3-carboxylate

Systemtic Name: (3S,4S)-4-(4-fluorophenyl)-1-methyl-piperidin-1-ium-3-carboxylate Openeye Name: (3S,4S)-4-(4-fluorophenyl)-1-methyl-piperidin-1-ium-3-carboxylate CAS Name: (3S,4S)-4-(4-fluorophenyl)-1-methyl-3-piperidin-1-iumcarboxylate IUPAC Name: (3S,4S)-4-(4-fluorophenyl)-1-methylpiperidin-1-ium-3-carboxylate Traditional Name: (3S,4S)-4-(4-fluorophenyl)-1-methyl-piperidin-1-ium-3-carboxylate Formula: C13H16FNO2 MolecularWeight: 237.270043

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(C(C1)C(=O)[O-])C2=CC=C(C=C2)F

Isomeric SMILES

C[NH+]1CC[C@@H]([C@@H](C1)C(=O)[O-])C2=CC=C(C=C2)F

InChI

InChI=1S/C13H16FNO2/c1-15-7-6-11(12(8-15)13(16)17)9-2-4-10(14)5-3-9/h2-5,11-12H,6-8H2,1H3,(H,16,17)/t11-,12-/m1/s1