3-(5-ethoxycarbonyl-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylpropyl-dimethyl-azanium

Systemtic Name: 3-(5-ethoxycarbonyl-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylpropyl-dimethyl-azanium Openeye Name: 3-(5-ethoxycarbonyl-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylpropyl-dimethyl-ammonium CAS Name: 3-[(5-ethoxycarbonyl-6-methyl-2-phenyl-4-pyrimidinyl)thio]propyl-dimethylammonium IUPAC Name: 3-(5-ethoxycarbonyl-6-methyl-2-phenylpyrimidin-4-yl)sulfanylpropyl-dimethylazanium Traditional Name: 3-[(5-carbethoxy-6-methyl-2-phenyl-pyrimidin-4-yl)thio]propyl-dimethyl-ammonium Formula: C19H26N3O2S+ MolecularWeight: 360.49364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1SCCC[NH+](C)C)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1SCCC[NH+](C)C)C2=CC=CC=C2)C

InChI

InChI=1S/C19H25N3O2S/c1-5-24-19(23)16-14(2)20-17(15-10-7-6-8-11-15)21-18(16)25-13-9-12-22(3)4/h6-8,10-11H,5,9,12-13H2,1-4H3/p+1