N-[(1S)-1-[2,6-bis(fluoranyl)phenyl]ethyl]-3-piperidin-1-ium-1-yl-propan-1-amine

Systemtic Name: N-[(1S)-1-[2,6-bis(fluoranyl)phenyl]ethyl]-3-piperidin-1-ium-1-yl-propan-1-amine Openeye Name: N-[(1S)-1-(2,6-difluorophenyl)ethyl]-3-piperidin-1-ium-1-yl-propan-1-amine CAS Name: N-[(1S)-1-(2,6-difluorophenyl)ethyl]-3-(1-piperidin-1-iumyl)-1-propanamine IUPAC Name: N-[(1S)-1-(2,6-difluorophenyl)ethyl]-3-piperidin-1-ium-1-ylpropan-1-amine Traditional Name: [(1S)-1-(2,6-difluorophenyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)amine Formula: C16H25F2N2+ MolecularWeight: 283.379906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC=C1F)F)NCCC[NH+]2CCCCC2

Isomeric SMILES

C[C@@H](C1=C(C=CC=C1F)F)NCCC[NH+]2CCCCC2

InChI

InChI=1S/C16H24F2N2/c1-13(16-14(17)7-5-8-15(16)18)19-9-6-12-20-10-3-2-4-11-20/h5,7-8,13,19H,2-4,6,9-12H2,1H3/p+1/t13-/m0/s1