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

Systemtic Name: 3-[(6S)-6-(2-chlorophenyl)-5-(2-methoxyethoxycarbonyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-3-yl]propyl-dimethyl-azanium Openeye Name: 3-[(6S)-6-(2-chlorophenyl)-5-(2-methoxyethoxycarbonyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[(6S)-6-(2-chlorophenyl)-5-[2-methoxyethoxy(oxo)methyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-3-yl]propyl-dimethylammonium IUPAC Name: 3-[(6S)-6-(2-chlorophenyl)-5-(2-methoxyethoxycarbonyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-3-yl]propyl-dimethylazanium Traditional Name: 3-[(6S)-6-(2-chlorophenyl)-5-(2-methoxyethoxycarbonyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-3-yl]propyl-dimethyl-ammonium Formula: C20H29ClN3O3S+ MolecularWeight: 426.98056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28ClN3O3S/c1-14-17(19(25)27-13-12-26-4)18(15-8-5-6-9-16(15)21)22-20(28)24(14)11-7-10-23(2)3/h5-6,8-9,18H,7,10-13H2,1-4H3,(H,22,28)/p+1/t18-/m1/s1