(2R,6S)-N-[3,4-bis(fluoranyl)phenyl]-6-methyl-piperidin-1-ium-2-carboxamide

Systemtic Name: (2R,6S)-N-[3,4-bis(fluoranyl)phenyl]-6-methyl-piperidin-1-ium-2-carboxamide Openeye Name: (2R,6S)-N-(3,4-difluorophenyl)-6-methyl-piperidin-1-ium-2-carboxamide CAS Name: (2R,6S)-N-(3,4-difluorophenyl)-6-methyl-2-piperidin-1-iumcarboxamide IUPAC Name: (2R,6S)-N-(3,4-difluorophenyl)-6-methylpiperidin-1-ium-2-carboxamide Traditional Name: (2R,6S)-N-(3,4-difluorophenyl)-6-methyl-piperidin-1-ium-2-carboxamide Formula: C13H17F2N2O+ MolecularWeight: 255.283686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH2+]1)C(=O)NC2=CC(=C(C=C2)F)F

Isomeric SMILES

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

InChI

InChI=1S/C13H16F2N2O/c1-8-3-2-4-12(16-8)13(18)17-9-5-6-10(14)11(15)7-9/h5-8,12,16H,2-4H2,1H3,(H,17,18)/p+1/t8-,12+/m0/s1