1-(1H-benzimidazol-3-ium-2-ylsulfanyl)-3,3-dimethyl-butan-2-one

Systemtic Name: 1-(1H-benzimidazol-3-ium-2-ylsulfanyl)-3,3-dimethyl-butan-2-one Openeye Name: 1-(1H-benzimidazol-3-ium-2-ylsulfanyl)-3,3-dimethyl-butan-2-one CAS Name: 1-(1H-benzimidazol-3-ium-2-ylthio)-3,3-dimethyl-2-butanone IUPAC Name: 1-(1H-benzimidazol-3-ium-2-ylsulfanyl)-3,3-dimethylbutan-2-one Traditional Name: 1-(1H-benzimidazol-3-ium-2-ylthio)-3,3-dimethyl-butan-2-one Formula: C13H17N2OS+ MolecularWeight: 249.35188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=[NH+]C2=CC=CC=C2N1

Isomeric SMILES

CC(C)(C)C(=O)CSC1=[NH+]C2=CC=CC=C2N1

InChI

InChI=1S/C13H16N2OS/c1-13(2,3)11(16)8-17-12-14-9-6-4-5-7-10(9)15-12/h4-7H,8H2,1-3H3,(H,14,15)/p+1