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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C[NH+]2CCC(CC2)C(=O)[O-])F

Isomeric SMILES

CC1=C(C=C(C=C1)C[NH+]2CCC(CC2)C(=O)[O-])F

InChI

InChI=1S/C14H18FNO2/c1-10-2-3-11(8-13(10)15)9-16-6-4-12(5-7-16)14(17)18/h2-3,8,12H,4-7,9H2,1H3,(H,17,18)