3-[5-cyano-2-(4-methoxyphenyl)-6-methyl-pyrimidin-4-yl]sulfanylpropyl-dimethyl-azanium

Systemtic Name: 3-[5-cyano-2-(4-methoxyphenyl)-6-methyl-pyrimidin-4-yl]sulfanylpropyl-dimethyl-azanium Openeye Name: 3-[5-cyano-2-(4-methoxyphenyl)-6-methyl-pyrimidin-4-yl]sulfanylpropyl-dimethyl-ammonium CAS Name: 3-[[5-cyano-2-(4-methoxyphenyl)-6-methyl-4-pyrimidinyl]thio]propyl-dimethylammonium IUPAC Name: 3-[5-cyano-2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylpropyl-dimethylazanium Traditional Name: 3-[[5-cyano-2-(4-methoxyphenyl)-6-methyl-pyrimidin-4-yl]thio]propyl-dimethyl-ammonium Formula: C18H23N4OS+ MolecularWeight: 343.46642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)OC)SCCC[NH+](C)C)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)OC)SCCC[NH+](C)C)C#N

InChI

InChI=1S/C18H22N4OS/c1-13-16(12-19)18(24-11-5-10-22(2)3)21-17(20-13)14-6-8-15(23-4)9-7-14/h6-9H,5,10-11H2,1-4H3/p+1