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

Systemtic Name: 5-[(3,4-dichlorophenyl)sulfanylmethyl]-1,2-dimethyl-pyrimidin-1-ium-4-amine perchlorate Openeye Name: 5-[(3,4-dichlorophenyl)sulfanylmethyl]-1,2-dimethyl-pyrimidin-1-ium-4-amine perchlorate CAS Name: 5-[[(3,4-dichlorophenyl)thio]methyl]-1,2-dimethyl-4-pyrimidin-1-iumamine perchlorate IUPAC Name: 5-[(3,4-dichlorophenyl)sulfanylmethyl]-1,2-dimethylpyrimidin-1-ium-4-amine perchlorate Traditional Name: [5-[[(3,4-dichlorophenyl)thio]methyl]-1,2-dimethyl-pyrimidin-1-ium-4-yl]amine perchlorate Formula: C13H14Cl3N3O4S MolecularWeight: 414.69196

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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.[O-]Cl(=O)(=O)=O

Isomeric SMILES

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

InChI

InChI=1S/C13H13Cl2N3S.ClHO4/c1-8-17-13(16)9(6-18(8)2)7-19-10-3-4-11(14)12(15)5-10;2-1(3,4)5/h3-6,16H,7H2,1-2H3;(H,2,3,4,5)