2-(2-methylprop-2-enylsulfanylmethyl)-1H-benzimidazol-3-ium

Systemtic Name: 2-(2-methylprop-2-enylsulfanylmethyl)-1H-benzimidazol-3-ium Openeye Name: 2-(2-methylallylsulfanylmethyl)-1H-benzimidazol-3-ium CAS Name: 2-[(2-methylprop-2-enylthio)methyl]-1H-benzimidazol-3-ium IUPAC Name: 2-(2-methylprop-2-enylsulfanylmethyl)-1H-benzimidazol-3-ium Traditional Name: 2-[(2-methylallylthio)methyl]-1H-benzimidazol-3-ium Formula: C12H15N2S+ MolecularWeight: 219.3259

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSCC1=[NH+]C2=CC=CC=C2N1

Isomeric SMILES

CC(=C)CSCC1=[NH+]C2=CC=CC=C2N1

InChI

InChI=1S/C12H14N2S/c1-9(2)7-15-8-12-13-10-5-3-4-6-11(10)14-12/h3-6H,1,7-8H2,2H3,(H,13,14)/p+1