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

Systemtic Name: 3-[(6R)-6-(3-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-3-yl]propyl-dimethyl-azanium Openeye Name: 3-[(6R)-6-(3-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-thioxo-1,6-dihydropyrimidin-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[(6R)-6-(3-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-3-yl]propyl-dimethylammonium IUPAC Name: 3-[(6R)-6-(3-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-3-yl]propyl-dimethylazanium Traditional Name: 3-[(6R)-5-carbomethoxy-6-(3-fluorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-3-yl]propyl-dimethyl-ammonium Formula: C18H25FN3O2S+ MolecularWeight: 366.473403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24FN3O2S/c1-12-15(17(23)24-4)16(13-7-5-8-14(19)11-13)20-18(25)22(12)10-6-9-21(2)3/h5,7-8,11,16H,6,9-10H2,1-4H3,(H,20,25)/p+1/t16-/m1/s1