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

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidin-3-ium Openeye Name: 2-(p-tolylmethylsulfanyl)-1,4,5,6-tetrahydropyrimidin-3-ium CAS Name: 2-[(4-methylphenyl)methylthio]-1,4,5,6-tetrahydropyrimidin-3-ium IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidin-3-ium Traditional Name: 2-[(4-methylbenzyl)thio]-1,4,5,6-tetrahydropyrimidin-3-ium Formula: C12H17N2S+ MolecularWeight: 221.34178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2S/c1-10-3-5-11(6-4-10)9-15-12-13-7-2-8-14-12/h3-6H,2,7-9H2,1H3,(H,13,14)/p+1