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

Systemtic Name: (3S)-N-[3,4-bis(fluoranyl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(3,4-difluorophenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(3,4-difluorophenyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(3,4-difluorophenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(3,4-difluorophenyl)piperidin-1-ium-3-carboxamide Formula: C12H15F2N2O+ MolecularWeight: 241.257106

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)C(=O)NC2=CC(=C(C=C2)F)F

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)C(=O)NC2=CC(=C(C=C2)F)F

InChI

InChI=1S/C12H14F2N2O/c13-10-4-3-9(6-11(10)14)16-12(17)8-2-1-5-15-7-8/h3-4,6,8,15H,1-2,5,7H2,(H,16,17)/p+1/t8-/m0/s1