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

Systemtic Name: 3-(5-ethanoyl-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylpropyl-dimethyl-azanium chloride Openeye Name: 3-(5-acetyl-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylpropyl-dimethyl-ammonium chloride CAS Name: 3-[(5-acetyl-6-methyl-2-phenyl-4-pyrimidinyl)thio]propyl-dimethylammonium chloride IUPAC Name: 3-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)sulfanylpropyl-dimethylazanium chloride Traditional Name: 3-[(5-acetyl-6-methyl-2-phenyl-pyrimidin-4-yl)thio]propyl-dimethyl-ammonium chloride Formula: C18H24ClN3OS MolecularWeight: 365.92066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCCC[NH+](C)C)C(=O)C.[Cl-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCCC[NH+](C)C)C(=O)C.[Cl-]

InChI

InChI=1S/C18H23N3OS.ClH/c1-13-16(14(2)22)18(23-12-8-11-21(3)4)20-17(19-13)15-9-6-5-7-10-15;/h5-7,9-10H,8,11-12H2,1-4H3;1H