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

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

Systemtic Name:2-(5-ethanoyl-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylethyl-dimethyl-azanium
Openeye Name:2-(5-acetyl-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylethyl-dimethyl-ammonium
CAS Name:2-[(5-acetyl-6-methyl-2-phenyl-4-pyrimidinyl)thio]ethyl-dimethylammonium
IUPAC Name:2-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)sulfanylethyl-dimethylazanium
Traditional Name:2-[(5-acetyl-6-methyl-2-phenyl-pyrimidin-4-yl)thio]ethyl-dimethyl-ammonium
Formula: C17H22N3OS+
MolecularWeight: 316.44108
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC[NH+](C)C)C(=O)C


Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC[NH+](C)C)C(=O)C


InChI

InChI=1S/C17H21N3OS/c1-12-15(13(2)21)17(22-11-10-20(3)4)19-16(18-12)14-8-6-5-7-9-14/h5-9H,10-11H2,1-4H3/p+1


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