5-[(3,4-dichlorophenyl)sulfanylmethyl]-1,2-dimethyl-pyrimidin-1-ium-4-amine

Systemtic Name: 5-[(3,4-dichlorophenyl)sulfanylmethyl]-1,2-dimethyl-pyrimidin-1-ium-4-amine Openeye Name: 5-[(3,4-dichlorophenyl)sulfanylmethyl]-1,2-dimethyl-pyrimidin-1-ium-4-amine CAS Name: 5-[[(3,4-dichlorophenyl)thio]methyl]-1,2-dimethyl-4-pyrimidin-1-iumamine IUPAC Name: 5-[(3,4-dichlorophenyl)sulfanylmethyl]-1,2-dimethylpyrimidin-1-ium-4-amine Traditional Name: [5-[[(3,4-dichlorophenyl)thio]methyl]-1,2-dimethyl-pyrimidin-1-ium-4-yl]amine Formula: C13H14Cl2N3S+ MolecularWeight: 315.24136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13Cl2N3S/c1-8-17-13(16)9(6-18(8)2)7-19-10-3-4-11(14)12(15)5-10/h3-6,16H,7H2,1-2H3/p+1