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

Systemtic Name: 3-[(6R)-5-methoxycarbonyl-4-methyl-6-naphthalen-2-yl-2-sulfanylidene-1,6-dihydropyrimidin-3-yl]propyl-dimethyl-azanium Openeye Name: 3-[(6R)-5-methoxycarbonyl-4-methyl-6-(2-naphthyl)-2-thioxo-1,6-dihydropyrimidin-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[(6R)-5-methoxycarbonyl-4-methyl-6-(2-naphthalenyl)-2-sulfanylidene-1,6-dihydropyrimidin-3-yl]propyl-dimethylammonium IUPAC Name: 3-[(6R)-5-methoxycarbonyl-4-methyl-6-naphthalen-2-yl-2-sulfanylidene-1,6-dihydropyrimidin-3-yl]propyl-dimethylazanium Traditional Name: 3-[(6R)-5-carbomethoxy-4-methyl-6-(2-naphthyl)-2-thioxo-1,6-dihydropyrimidin-3-yl]propyl-dimethyl-ammonium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1CCC[NH+](C)C)C2=CC3=CC=CC=C3C=C2)C(=O)OC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1CCC[NH+](C)C)C2=CC3=CC=CC=C3C=C2)C(=O)OC

InChI

InChI=1S/C22H27N3O2S/c1-15-19(21(26)27-4)20(23-22(28)25(15)13-7-12-24(2)3)18-11-10-16-8-5-6-9-17(16)14-18/h5-6,8-11,14,20H,7,12-13H2,1-4H3,(H,23,28)/p+1/t20-/m1/s1