2-[(3,4-dimethylphenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidin-3-ium chloride

Systemtic Name: 2-[(3,4-dimethylphenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidin-3-ium chloride Openeye Name: 2-[(3,4-dimethylphenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidin-3-ium chloride CAS Name: 2-[(3,4-dimethylphenyl)methylthio]-1,4,5,6-tetrahydropyrimidin-3-ium chloride IUPAC Name: 2-[(3,4-dimethylphenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidin-3-ium chloride Traditional Name: 2-[(3,4-dimethylbenzyl)thio]-1,4,5,6-tetrahydropyrimidin-3-ium chloride Formula: C13H19ClN2S MolecularWeight: 270.82136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CSC2=[NH+]CCCN2)C.[Cl-]

Isomeric SMILES

CC1=C(C=C(C=C1)CSC2=[NH+]CCCN2)C.[Cl-]

InChI

InChI=1S/C13H18N2S.ClH/c1-10-4-5-12(8-11(10)2)9-16-13-14-6-3-7-15-13;/h4-5,8H,3,6-7,9H2,1-2H3,(H,14,15);1H