(3R,4S)-3-nitro-1-(phenylmethyl)-4-(trifluoromethyl)pyrrolidin-1-ium

Systemtic Name: (3R,4S)-3-nitro-1-(phenylmethyl)-4-(trifluoromethyl)pyrrolidin-1-ium Openeye Name: (3R,4S)-1-benzyl-3-nitro-4-(trifluoromethyl)pyrrolidin-1-ium CAS Name: (3R,4S)-3-nitro-1-(phenylmethyl)-4-(trifluoromethyl)pyrrolidin-1-ium IUPAC Name: (3R,4S)-1-benzyl-3-nitro-4-(trifluoromethyl)pyrrolidin-1-ium Traditional Name: (3R,4S)-1-benzyl-3-nitro-4-(trifluoromethyl)pyrrolidin-1-ium Formula: C12H14F3N2O2+ MolecularWeight: 275.24697

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C[NH+]1CC2=CC=CC=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1[C@@H]([C@H](C[NH+]1CC2=CC=CC=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C12H13F3N2O2/c13-12(14,15)10-7-16(8-11(10)17(18)19)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/p+1/t10-,11-/m0/s1