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

Systemtic Name: 3-[(6S)-6-(2-chlorophenyl)-5-methoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-3-yl]propyl-dimethyl-azanium Openeye Name: 3-[(6S)-6-(2-chlorophenyl)-5-methoxycarbonyl-4-methyl-2-thioxo-1,6-dihydropyrimidin-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[(6S)-6-(2-chlorophenyl)-5-methoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-3-yl]propyl-dimethylammonium IUPAC Name: 3-[(6S)-6-(2-chlorophenyl)-5-methoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-3-yl]propyl-dimethylazanium Traditional Name: 3-[(6S)-5-carbomethoxy-6-(2-chlorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-3-yl]propyl-dimethyl-ammonium Formula: C18H25ClN3O2S+ MolecularWeight: 382.928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClN3O2S/c1-12-15(17(23)24-4)16(13-8-5-6-9-14(13)19)20-18(25)22(12)11-7-10-21(2)3/h5-6,8-9,16H,7,10-11H2,1-4H3,(H,20,25)/p+1/t16-/m1/s1