6-methyl-2-[(2,3,5,6-tetramethylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium

Systemtic Name: 6-methyl-2-[(2,3,5,6-tetramethylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium Openeye Name: 6-methyl-2-[(2,3,5,6-tetramethylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium CAS Name: 6-methyl-2-[(2,3,5,6-tetramethylphenyl)methylthio]-1H-benzimidazol-3-ium IUPAC Name: 6-methyl-2-[(2,3,5,6-tetramethylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium Traditional Name: 6-methyl-2-[(2,3,5,6-tetramethylbenzyl)thio]-1H-benzimidazol-3-ium Formula: C19H23N2S+ MolecularWeight: 311.46432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+]=C(N2)SCC3=C(C(=CC(=C3C)C)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+]=C(N2)SCC3=C(C(=CC(=C3C)C)C)C

InChI

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