(3S)-1-[[2,5-bis(fluoranyl)phenyl]methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[[2,5-bis(fluoranyl)phenyl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(2,5-difluorophenyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2,5-difluorophenyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2,5-difluorophenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(2,5-difluorobenzyl)piperidin-1-ium-3-carboxamide Formula: C13H17F2N2O+ MolecularWeight: 255.283686

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C(C=CC(=C2)F)F)C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=C(C=CC(=C2)F)F)C(=O)N

InChI

InChI=1S/C13H16F2N2O/c14-11-3-4-12(15)10(6-11)8-17-5-1-2-9(7-17)13(16)18/h3-4,6,9H,1-2,5,7-8H2,(H2,16,18)/p+1/t9-/m0/s1