2-[(2-propan-2-ylphenyl)sulfanylmethyl]-4,5-dihydro-1H-imidazol-1-ium chloride

Systemtic Name: 2-[(2-propan-2-ylphenyl)sulfanylmethyl]-4,5-dihydro-1H-imidazol-1-ium chloride Openeye Name: 2-[(2-isopropylphenyl)sulfanylmethyl]-4,5-dihydro-1H-imidazol-1-ium chloride CAS Name: 2-[[(2-propan-2-ylphenyl)thio]methyl]-4,5-dihydro-1H-imidazol-1-ium chloride IUPAC Name: 2-[(2-propan-2-ylphenyl)sulfanylmethyl]-4,5-dihydro-1H-imidazol-1-ium chloride Traditional Name: 2-[(o-cumenylthio)methyl]-2-imidazolin-1-ium chloride Formula: C13H19ClN2S MolecularWeight: 270.82136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SCC2=NCC[NH2+]2.[Cl-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SCC2=NCC[NH2+]2.[Cl-]

InChI

InChI=1S/C13H18N2S.ClH/c1-10(2)11-5-3-4-6-12(11)16-9-13-14-7-8-15-13;/h3-6,10H,7-9H2,1-2H3,(H,14,15);1H