(3S)-N-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-1-(phenylmethyl)pyrrolidin-1-ium-3-amine

Systemtic Name: (3S)-N-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-1-(phenylmethyl)pyrrolidin-1-ium-3-amine Openeye Name: (3S)-1-benzyl-N-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]pyrrolidin-1-ium-3-amine CAS Name: (3S)-N-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-1-(phenylmethyl)-3-pyrrolidin-1-iumamine IUPAC Name: (3S)-1-benzyl-N-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]pyrrolidin-1-ium-3-amine Traditional Name: [(3S)-1-benzylpyrrolidin-1-ium-3-yl]-(2-nitro-4-triflyl-phenyl)amine Formula: C18H19F3N3O4S+ MolecularWeight: 430.42137

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](C[C@H]1NC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C18H18F3N3O4S/c19-18(20,21)29(27,28)15-6-7-16(17(10-15)24(25)26)22-14-8-9-23(12-14)11-13-4-2-1-3-5-13/h1-7,10,14,22H,8-9,11-12H2/p+1/t14-/m0/s1