(3S)-1-[(4-fluoranyl-3-methyl-phenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[(4-fluoranyl-3-methyl-phenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[(4-fluoro-3-methyl-phenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(4-fluoro-3-methylphenyl)methyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[(4-fluoro-3-methylphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(4-fluoro-3-methyl-benzyl)piperidin-1-ium-3-carboxylate Formula: C14H18FNO2 MolecularWeight: 251.296623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCCC(C2)C(=O)[O-])F

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCC[C@@H](C2)C(=O)[O-])F

InChI

InChI=1S/C14H18FNO2/c1-10-7-11(4-5-13(10)15)8-16-6-2-3-12(9-16)14(17)18/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,17,18)/t12-/m0/s1