4-(4,6-dimethylpyrimidin-1-ium-2-yl)sulfanylbutan-2-one

Systemtic Name: 4-(4,6-dimethylpyrimidin-1-ium-2-yl)sulfanylbutan-2-one Openeye Name: 4-(4,6-dimethylpyrimidin-1-ium-2-yl)sulfanylbutan-2-one CAS Name: 4-[(4,6-dimethyl-2-pyrimidin-1-iumyl)thio]-2-butanone IUPAC Name: 4-(4,6-dimethylpyrimidin-1-ium-2-yl)sulfanylbutan-2-one Traditional Name: 4-[(4,6-dimethylpyrimidin-1-ium-2-yl)thio]butan-2-one Formula: C10H15N2OS+ MolecularWeight: 211.3039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)SCCC(=O)C)C

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)SCCC(=O)C)C

InChI

InChI=1S/C10H14N2OS/c1-7-6-8(2)12-10(11-7)14-5-4-9(3)13/h6H,4-5H2,1-3H3/p+1