4,6-dimethyl-2-[2-(1-methylpyridin-1-ium-2-yl)ethylsulfanyl]pyrimidine iodide

Systemtic Name: 4,6-dimethyl-2-[2-(1-methylpyridin-1-ium-2-yl)ethylsulfanyl]pyrimidine iodide Openeye Name: 4,6-dimethyl-2-[2-(1-methylpyridin-1-ium-2-yl)ethylsulfanyl]pyrimidine iodide CAS Name: 4,6-dimethyl-2-[2-(1-methyl-2-pyridin-1-iumyl)ethylthio]pyrimidine iodide IUPAC Name: 4,6-dimethyl-2-[2-(1-methylpyridin-1-ium-2-yl)ethylsulfanyl]pyrimidine iodide Traditional Name: 4,6-dimethyl-2-[2-(1-methylpyridin-1-ium-2-yl)ethylthio]pyrimidine iodide Formula: C14H18IN3S MolecularWeight: 387.28229

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCC2=CC=CC=[N+]2C)C.[I-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCCC2=CC=CC=[N+]2C)C.[I-]

InChI

InChI=1S/C14H18N3S.HI/c1-11-10-12(2)16-14(15-11)18-9-7-13-6-4-5-8-17(13)3;/h4-6,8,10H,7,9H2,1-3H3;1H/q+1;/p-1