2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoyl-trimethyl-azanium

Systemtic Name: 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoyl-trimethyl-azanium Openeye Name: [2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetyl]-trimethyl-ammonium CAS Name: [2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-1-oxoethyl]-trimethylammonium IUPAC Name: [2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetyl]-trimethylazanium Traditional Name: [2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetyl]-trimethyl-ammonium Formula: C13H18N3OS+ MolecularWeight: 264.36652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)[N+](C)(C)C)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)[N+](C)(C)C)C

InChI

InChI=1S/C13H18N3OS/c1-9-6-10(2)15-13(11(9)7-14)18-8-12(17)16(3,4)5/h6H,8H2,1-5H3/q+1