dimethyl-[(2R)-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxidanyl-propyl]azanium

Systemtic Name: dimethyl-[(2R)-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxidanyl-propyl]azanium Openeye Name: [(2R)-2-hydroxy-3-[2-nitro-4-(trifluoromethyl)anilino]propyl]-dimethyl-ammonium CAS Name: [(2R)-2-hydroxy-3-[2-nitro-4-(trifluoromethyl)anilino]propyl]-dimethylammonium IUPAC Name: [(2R)-2-hydroxy-3-[2-nitro-4-(trifluoromethyl)anilino]propyl]-dimethylazanium Traditional Name: [(2R)-2-hydroxy-3-[2-nitro-4-(trifluoromethyl)anilino]propyl]-dimethyl-ammonium Formula: C12H17F3N3O3+ MolecularWeight: 308.27689

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(CNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])O

Isomeric SMILES

C[NH+](C)C[C@@H](CNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])O

InChI

InChI=1S/C12H16F3N3O3/c1-17(2)7-9(19)6-16-10-4-3-8(12(13,14)15)5-11(10)18(20)21/h3-5,9,16,19H,6-7H2,1-2H3/p+1/t9-/m1/s1