3-[(6R)-5-methoxycarbonyl-4-methyl-2-sulfanylidene-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-3-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[(6R)-5-methoxycarbonyl-4-methyl-2-sulfanylidene-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-3-yl]propyl-dimethyl-azanium Openeye Name: 3-[(6R)-5-methoxycarbonyl-4-methyl-2-thioxo-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[(6R)-5-methoxycarbonyl-4-methyl-2-sulfanylidene-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-3-yl]propyl-dimethylammonium IUPAC Name: 3-[(6R)-5-methoxycarbonyl-4-methyl-2-sulfanylidene-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-3-yl]propyl-dimethylazanium Traditional Name: 3-[(6R)-5-carbomethoxy-4-methyl-2-thioxo-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-3-yl]propyl-dimethyl-ammonium Formula: C19H25F3N3O2S+ MolecularWeight: 416.48091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1CCC[NH+](C)C)C2=CC=CC=C2C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1CCC[NH+](C)C)C2=CC=CC=C2C(F)(F)F)C(=O)OC

InChI

InChI=1S/C19H24F3N3O2S/c1-12-15(17(26)27-4)16(13-8-5-6-9-14(13)19(20,21)22)23-18(28)25(12)11-7-10-24(2)3/h5-6,8-9,16H,7,10-11H2,1-4H3,(H,23,28)/p+1/t16-/m1/s1