2-[(4-propan-2-ylphenyl)methylsulfanylmethyl]-1H-benzimidazol-3-ium

Systemtic Name: 2-[(4-propan-2-ylphenyl)methylsulfanylmethyl]-1H-benzimidazol-3-ium Openeye Name: 2-[(4-isopropylphenyl)methylsulfanylmethyl]-1H-benzimidazol-3-ium CAS Name: 2-[[(4-propan-2-ylphenyl)methylthio]methyl]-1H-benzimidazol-3-ium IUPAC Name: 2-[(4-propan-2-ylphenyl)methylsulfanylmethyl]-1H-benzimidazol-3-ium Traditional Name: 2-[[(4-isopropylbenzyl)thio]methyl]-1H-benzimidazol-3-ium Formula: C18H21N2S+ MolecularWeight: 297.43774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSCC2=[NH+]C3=CC=CC=C3N2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSCC2=[NH+]C3=CC=CC=C3N2

InChI

InChI=1S/C18H20N2S/c1-13(2)15-9-7-14(8-10-15)11-21-12-18-19-16-5-3-4-6-17(16)20-18/h3-10,13H,11-12H2,1-2H3,(H,19,20)/p+1