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

Systemtic Name: 3-[(6R)-5-ethoxycarbonyl-6-(3-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-3-yl]propyl-dimethyl-azanium Openeye Name: 3-[(6R)-5-ethoxycarbonyl-6-(3-fluorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[(6R)-5-ethoxycarbonyl-6-(3-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-3-yl]propyl-dimethylammonium IUPAC Name: 3-[(6R)-5-ethoxycarbonyl-6-(3-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-3-yl]propyl-dimethylazanium Traditional Name: 3-[(6R)-5-carbethoxy-6-(3-fluorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-3-yl]propyl-dimethyl-ammonium Formula: C19H27FN3O2S+ MolecularWeight: 380.499983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC(=CC=C2)F)CCC[NH+](C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N[C@@H]1C2=CC(=CC=C2)F)CCC[NH+](C)C)C

InChI

InChI=1S/C19H26FN3O2S/c1-5-25-18(24)16-13(2)23(11-7-10-22(3)4)19(26)21-17(16)14-8-6-9-15(20)12-14/h6,8-9,12,17H,5,7,10-11H2,1-4H3,(H,21,26)/p+1/t17-/m1/s1