6-methyl-2-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium

Systemtic Name: 6-methyl-2-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium Openeye Name: 2-[(4-isopropylphenyl)methylsulfanyl]-6-methyl-1H-benzimidazol-3-ium CAS Name: 6-methyl-2-[(4-propan-2-ylphenyl)methylthio]-1H-benzimidazol-3-ium IUPAC Name: 6-methyl-2-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium Traditional Name: 2-[(4-isopropylbenzyl)thio]-6-methyl-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=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+]=C(N2)SCC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C18H20N2S/c1-12(2)15-7-5-14(6-8-15)11-21-18-19-16-9-4-13(3)10-17(16)20-18/h4-10,12H,11H2,1-3H3,(H,19,20)/p+1