2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium chloride

Systemtic Name: 2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium chloride Openeye Name: 2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium chloride CAS Name: 2-[(2,3,4,5,6-pentamethylphenyl)methylthio]-1H-benzimidazol-3-ium chloride IUPAC Name: 2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium chloride Traditional Name: 2-[(2,3,4,5,6-pentamethylbenzyl)thio]-1H-benzimidazol-3-ium chloride Formula: C19H23ClN2S MolecularWeight: 346.91732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)CSC2=[NH+]C3=CC=CC=C3N2)C)C.[Cl-]

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)CSC2=[NH+]C3=CC=CC=C3N2)C)C.[Cl-]

InChI

InChI=1S/C19H22N2S.ClH/c1-11-12(2)14(4)16(15(5)13(11)3)10-22-19-20-17-8-6-7-9-18(17)21-19;/h6-9H,10H2,1-5H3,(H,20,21);1H