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

Systemtic Name: (3S,6S)-N-[3,5-bis(fluoranyl)phenyl]-6-methyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S,6S)-N-(3,5-difluorophenyl)-6-methyl-piperidin-1-ium-3-carboxamide CAS Name: (3S,6S)-N-(3,5-difluorophenyl)-6-methyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S,6S)-N-(3,5-difluorophenyl)-6-methylpiperidin-1-ium-3-carboxamide Traditional Name: (3S,6S)-N-(3,5-difluorophenyl)-6-methyl-piperidin-1-ium-3-carboxamide Formula: C13H17F2N2O+ MolecularWeight: 255.283686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16F2N2O/c1-8-2-3-9(7-16-8)13(18)17-12-5-10(14)4-11(15)6-12/h4-6,8-9,16H,2-3,7H2,1H3,(H,17,18)/p+1/t8-,9-/m0/s1