dimethyl-[(1R)-2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-1-thiophen-2-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1R)-2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-1-thiophen-2-yl-ethyl]azanium Openeye Name: dimethyl-[(1R)-2-[2-nitro-4-(trifluoromethyl)anilino]-1-(2-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1R)-2-[2-nitro-4-(trifluoromethyl)anilino]-1-thiophen-2-ylethyl]ammonium IUPAC Name: dimethyl-[(1R)-2-[2-nitro-4-(trifluoromethyl)anilino]-1-thiophen-2-ylethyl]azanium Traditional Name: dimethyl-[(1R)-2-[2-nitro-4-(trifluoromethyl)anilino]-1-(2-thienyl)ethyl]ammonium Formula: C15H17F3N3O2S+ MolecularWeight: 360.37459

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])C2=CC=CS2

Isomeric SMILES

C[NH+](C)[C@H](CNC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])C2=CC=CS2

InChI

InChI=1S/C15H16F3N3O2S/c1-20(2)13(14-4-3-7-24-14)9-19-11-6-5-10(15(16,17)18)8-12(11)21(22)23/h3-8,13,19H,9H2,1-2H3/p+1/t13-/m1/s1