1,2-dimethyl-5-[(1-methylpyridin-1-ium-4-yl)sulfanylmethyl]pyrimidin-1-ium-4-amine

Systemtic Name: 1,2-dimethyl-5-[(1-methylpyridin-1-ium-4-yl)sulfanylmethyl]pyrimidin-1-ium-4-amine Openeye Name: 1,2-dimethyl-5-[(1-methylpyridin-1-ium-4-yl)sulfanylmethyl]pyrimidin-1-ium-4-amine CAS Name: 1,2-dimethyl-5-[[(1-methyl-4-pyridin-1-iumyl)thio]methyl]-4-pyrimidin-1-iumamine IUPAC Name: 1,2-dimethyl-5-[(1-methylpyridin-1-ium-4-yl)sulfanylmethyl]pyrimidin-1-ium-4-amine Traditional Name: [1,2-dimethyl-5-[[(1-methylpyridin-1-ium-4-yl)thio]methyl]pyrimidin-1-ium-4-yl]amine Formula: C13H18N4S+2 MolecularWeight: 262.37382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C(=N1)N)CSC2=CC=[N+](C=C2)C)C

Isomeric SMILES

CC1=[N+](C=C(C(=N1)N)CSC2=CC=[N+](C=C2)C)C

InChI

InChI=1S/C13H17N4S/c1-10-15-13(14)11(8-17(10)3)9-18-12-4-6-16(2)7-5-12/h4-8,14H,9H2,1-3H3/q+1/p+1