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4-(4-methylpyrimidin-1-ium-2-yl)sulfanylbutan-2-one

4-(4-methylpyrimidin-1-ium-2-yl)sulfanylbutan-2-one

Systemtic Name:4-(4-methylpyrimidin-1-ium-2-yl)sulfanylbutan-2-one
Openeye Name:4-(4-methylpyrimidin-1-ium-2-yl)sulfanylbutan-2-one
CAS Name:4-[(4-methyl-2-pyrimidin-1-iumyl)thio]-2-butanone
IUPAC Name:4-(4-methylpyrimidin-1-ium-2-yl)sulfanylbutan-2-one
Traditional Name:4-[(4-methylpyrimidin-1-ium-2-yl)thio]butan-2-one
Formula: C9H13N2OS+
MolecularWeight: 197.27732
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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=[NH+]C=C1)SCCC(=O)C


Isomeric SMILES

CC1=NC(=[NH+]C=C1)SCCC(=O)C


InChI

InChI=1S/C9H12N2OS/c1-7-3-5-10-9(11-7)13-6-4-8(2)12/h3,5H,4,6H2,1-2H3/p+1


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