2-(2-cyclohexylethylsulfanyl)-6-methyl-1H-benzimidazol-3-ium

Systemtic Name: 2-(2-cyclohexylethylsulfanyl)-6-methyl-1H-benzimidazol-3-ium Openeye Name: 2-(2-cyclohexylethylsulfanyl)-6-methyl-1H-benzimidazol-3-ium CAS Name: 2-(2-cyclohexylethylthio)-6-methyl-1H-benzimidazol-3-ium IUPAC Name: 2-(2-cyclohexylethylsulfanyl)-6-methyl-1H-benzimidazol-3-ium Traditional Name: 2-(2-cyclohexylethylthio)-6-methyl-1H-benzimidazol-3-ium Formula: C16H23N2S+ MolecularWeight: 275.43222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+]=C(N2)SCCC3CCCCC3

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+]=C(N2)SCCC3CCCCC3

InChI

InChI=1S/C16H22N2S/c1-12-7-8-14-15(11-12)18-16(17-14)19-10-9-13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10H2,1H3,(H,17,18)/p+1