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

Systemtic Name: N-[(1S)-1-[2,6-bis(fluoranyl)phenyl]ethyl]-3-pyrrolidin-1-ium-1-yl-propan-1-amine Openeye Name: N-[(1S)-1-(2,6-difluorophenyl)ethyl]-3-pyrrolidin-1-ium-1-yl-propan-1-amine CAS Name: N-[(1S)-1-(2,6-difluorophenyl)ethyl]-3-(1-pyrrolidin-1-iumyl)-1-propanamine IUPAC Name: N-[(1S)-1-(2,6-difluorophenyl)ethyl]-3-pyrrolidin-1-ium-1-ylpropan-1-amine Traditional Name: [(1S)-1-(2,6-difluorophenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)amine Formula: C15H23F2N2+ MolecularWeight: 269.353326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC=C1F)F)NCCC[NH+]2CCCC2

Isomeric SMILES

C[C@@H](C1=C(C=CC=C1F)F)NCCC[NH+]2CCCC2

InChI

InChI=1S/C15H22F2N2/c1-12(15-13(16)6-4-7-14(15)17)18-8-5-11-19-9-2-3-10-19/h4,6-7,12,18H,2-3,5,8-11H2,1H3/p+1/t12-/m0/s1