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

Systemtic Name: 3-[(6S)-6-(2-chloranyl-6-fluoranyl-phenyl)-5-methoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-3-yl]propyl-dimethyl-azanium Openeye Name: 3-[(6S)-6-(2-chloro-6-fluoro-phenyl)-5-methoxycarbonyl-4-methyl-2-thioxo-1,6-dihydropyrimidin-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[(6S)-6-(2-chloro-6-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-3-yl]propyl-dimethylammonium IUPAC Name: 3-[(6S)-6-(2-chloro-6-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-3-yl]propyl-dimethylazanium Traditional Name: 3-[(6S)-5-carbomethoxy-6-(2-chloro-6-fluoro-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-3-yl]propyl-dimethyl-ammonium Formula: C18H24ClFN3O2S+ MolecularWeight: 400.918463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1CCC[NH+](C)C)C2=C(C=CC=C2Cl)F)C(=O)OC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1CCC[NH+](C)C)C2=C(C=CC=C2Cl)F)C(=O)OC

InChI

InChI=1S/C18H23ClFN3O2S/c1-11-14(17(24)25-4)16(15-12(19)7-5-8-13(15)20)21-18(26)23(11)10-6-9-22(2)3/h5,7-8,16H,6,9-10H2,1-4H3,(H,21,26)/p+1/t16-/m0/s1