(1S)-1-[2,5-bis(fluoranyl)phenyl]-2-pyrrolidin-1-ium-1-yl-ethanamine

Systemtic Name: (1S)-1-[2,5-bis(fluoranyl)phenyl]-2-pyrrolidin-1-ium-1-yl-ethanamine Openeye Name: (1S)-1-(2,5-difluorophenyl)-2-pyrrolidin-1-ium-1-yl-ethanamine CAS Name: (1S)-1-(2,5-difluorophenyl)-2-(1-pyrrolidin-1-iumyl)ethanamine IUPAC Name: (1S)-1-(2,5-difluorophenyl)-2-pyrrolidin-1-ium-1-ylethanamine Traditional Name: [(1S)-1-(2,5-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(=C2)F)F)N

Isomeric SMILES

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

InChI

InChI=1S/C12H16F2N2/c13-9-3-4-11(14)10(7-9)12(15)8-16-5-1-2-6-16/h3-4,7,12H,1-2,5-6,8,15H2/p+1/t12-/m1/s1