(1S)-1-[2,6-bis(fluoranyl)phenyl]-2-pyrrolidin-1-ium-1-yl-ethanamine

Systemtic Name: (1S)-1-[2,6-bis(fluoranyl)phenyl]-2-pyrrolidin-1-ium-1-yl-ethanamine Openeye Name: (1S)-1-(2,6-difluorophenyl)-2-pyrrolidin-1-ium-1-yl-ethanamine CAS Name: (1S)-1-(2,6-difluorophenyl)-2-(1-pyrrolidin-1-iumyl)ethanamine IUPAC Name: (1S)-1-(2,6-difluorophenyl)-2-pyrrolidin-1-ium-1-ylethanamine Traditional Name: [(1S)-1-(2,6-difluorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amine Formula: C12H17F2N2+ MolecularWeight: 227.273586

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(C2=C(C=CC=C2F)F)N

Isomeric SMILES

C1CC[NH+](C1)C[C@H](C2=C(C=CC=C2F)F)N

InChI

InChI=1S/C12H16F2N2/c13-9-4-3-5-10(14)12(9)11(15)8-16-6-1-2-7-16/h3-5,11H,1-2,6-8,15H2/p+1/t11-/m1/s1