(3S,6S)-N-(5-fluoranyl-2-methyl-phenyl)-6-methyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S,6S)-N-(5-fluoranyl-2-methyl-phenyl)-6-methyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S,6S)-N-(5-fluoro-2-methyl-phenyl)-6-methyl-piperidin-1-ium-3-carboxamide CAS Name: (3S,6S)-N-(5-fluoro-2-methylphenyl)-6-methyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S,6S)-N-(5-fluoro-2-methylphenyl)-6-methylpiperidin-1-ium-3-carboxamide Traditional Name: (3S,6S)-N-(5-fluoro-2-methyl-phenyl)-6-methyl-piperidin-1-ium-3-carboxamide Formula: C14H20FN2O+ MolecularWeight: 251.319803

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C[NH2+]1)C(=O)NC2=C(C=CC(=C2)F)C

Isomeric SMILES

C[C@H]1CC[C@@H](C[NH2+]1)C(=O)NC2=C(C=CC(=C2)F)C

InChI

InChI=1S/C14H19FN2O/c1-9-3-6-12(15)7-13(9)17-14(18)11-5-4-10(2)16-8-11/h3,6-7,10-11,16H,4-5,8H2,1-2H3,(H,17,18)/p+1/t10-,11-/m0/s1