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

Systemtic Name: 2-[(3,4-dimethylphenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidin-3-ium Openeye Name: 2-[(3,4-dimethylphenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidin-3-ium CAS Name: 2-[(3,4-dimethylphenyl)methylthio]-1,4,5,6-tetrahydropyrimidin-3-ium IUPAC Name: 2-[(3,4-dimethylphenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidin-3-ium Traditional Name: 2-[(3,4-dimethylbenzyl)thio]-1,4,5,6-tetrahydropyrimidin-3-ium Formula: C13H19N2S+ MolecularWeight: 235.36836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2S/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)/p+1