2-(5-ethoxycarbonyl-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylethyl-dimethyl-azanium

Systemtic Name: 2-(5-ethoxycarbonyl-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylethyl-dimethyl-azanium Openeye Name: 2-(5-ethoxycarbonyl-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylethyl-dimethyl-ammonium CAS Name: 2-[(5-ethoxycarbonyl-6-methyl-2-phenyl-4-pyrimidinyl)thio]ethyl-dimethylammonium IUPAC Name: 2-(5-ethoxycarbonyl-6-methyl-2-phenylpyrimidin-4-yl)sulfanylethyl-dimethylazanium Traditional Name: 2-[(5-carbethoxy-6-methyl-2-phenyl-pyrimidin-4-yl)thio]ethyl-dimethyl-ammonium Formula: C18H24N3O2S+ MolecularWeight: 346.46706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1SCC[NH+](C)C)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1SCC[NH+](C)C)C2=CC=CC=C2)C

InChI

InChI=1S/C18H23N3O2S/c1-5-23-18(22)15-13(2)19-16(14-9-7-6-8-10-14)20-17(15)24-12-11-21(3)4/h6-10H,5,11-12H2,1-4H3/p+1