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

Systemtic Name: (3S)-1-[[2,3-bis(fluoranyl)phenyl]methyl]-N-phenyl-piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(2,3-difluorophenyl)methyl]-N-phenyl-piperidin-1-ium-3-amine CAS Name: (3S)-1-[(2,3-difluorophenyl)methyl]-N-phenyl-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(2,3-difluorophenyl)methyl]-N-phenylpiperidin-1-ium-3-amine Traditional Name: [(3S)-1-(2,3-difluorobenzyl)piperidin-1-ium-3-yl]-phenyl-amine Formula: C18H21F2N2+ MolecularWeight: 303.369546

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C(C(=CC=C2)F)F)NC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=C(C(=CC=C2)F)F)NC3=CC=CC=C3

InChI

InChI=1S/C18H20F2N2/c19-17-10-4-6-14(18(17)20)12-22-11-5-9-16(13-22)21-15-7-2-1-3-8-15/h1-4,6-8,10,16,21H,5,9,11-13H2/p+1/t16-/m0/s1