1-(2-propan-2-ylsulfanylphenyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium chloride

Systemtic Name: 1-(2-propan-2-ylsulfanylphenyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium chloride Openeye Name: 1-(2-isopropylsulfanylphenyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium chloride CAS Name: 1-[2-(propan-2-ylthio)phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium chloride IUPAC Name: 1-(2-propan-2-ylsulfanylphenyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium chloride Traditional Name: 1-[2-(isopropylthio)phenyl]-3-mesityl-2-imidazolin-3-ium chloride Formula: C21H27ClN2S MolecularWeight: 374.97048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)[N+]2=CN(CC2)C3=CC=CC=C3SC(C)C)C.[Cl-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)[N+]2=CN(CC2)C3=CC=CC=C3SC(C)C)C.[Cl-]

InChI

InChI=1S/C21H27N2S.ClH/c1-15(2)24-20-9-7-6-8-19(20)22-10-11-23(14-22)21-17(4)12-16(3)13-18(21)5;/h6-9,12-15H,10-11H2,1-5H3;1H/q+1;/p-1