6-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium

Systemtic Name: 6-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium Openeye Name: 6-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium CAS Name: 6-methyl-2-[(2,4,6-trimethylphenyl)methylthio]-1H-benzimidazol-3-ium IUPAC Name: 6-methyl-2-[(2,4,6-trimethylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium Traditional Name: 6-methyl-2-[(2,4,6-trimethylbenzyl)thio]-1H-benzimidazol-3-ium Formula: C18H21N2S+ MolecularWeight: 297.43774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2S/c1-11-5-6-16-17(9-11)20-18(19-16)21-10-15-13(3)7-12(2)8-14(15)4/h5-9H,10H2,1-4H3,(H,19,20)/p+1