(3S)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-3-amine dihydrochloride

Systemtic Name: (3S)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-3-amine dihydrochloride Openeye Name: (3S)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-3-amine dihydrochloride CAS Name: (3S)-1-[2-nitro-4-(trifluoromethyl)phenyl]-3-piperidinamine dihydrochloride IUPAC Name: (3S)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-3-amine dihydrochloride Traditional Name: [(3S)-1-[2-nitro-4-(trifluoromethyl)phenyl]-3-piperidyl]amine dihydrochloride Formula: C12H16Cl2F3N3O2 MolecularWeight: 362.17555

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])N.Cl.Cl

Isomeric SMILES

C1C[C@@H](CN(C1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])N.Cl.Cl

InChI

InChI=1S/C12H14F3N3O2.2ClH/c13-12(14,15)8-3-4-10(11(6-8)18(19)20)17-5-1-2-9(16)7-17;;/h3-4,6,9H,1-2,5,7,16H2;2*1H/t9-;;/m0../s1