1-[(1,3-dimethyl-4,5,6,7-tetrahydrobenzimidazol-3-ium-2-yl)sulfanyl]propan-2-one

Systemtic Name: 1-[(1,3-dimethyl-4,5,6,7-tetrahydrobenzimidazol-3-ium-2-yl)sulfanyl]propan-2-one Openeye Name: 1-[(1,3-dimethyl-4,5,6,7-tetrahydrobenzimidazol-3-ium-2-yl)sulfanyl]propan-2-one CAS Name: 1-[(1,3-dimethyl-4,5,6,7-tetrahydrobenzimidazol-3-ium-2-yl)thio]-2-propanone IUPAC Name: 1-[(1,3-dimethyl-4,5,6,7-tetrahydrobenzimidazol-3-ium-2-yl)sulfanyl]propan-2-one Traditional Name: 1-[(1,3-dimethyl-4,5,6,7-tetrahydrobenzimidazol-3-ium-2-yl)thio]acetone Formula: C12H19N2OS+ MolecularWeight: 239.35706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=[N+](C2=C(N1C)CCCC2)C

Isomeric SMILES

CC(=O)CSC1=[N+](C2=C(N1C)CCCC2)C

InChI

InChI=1S/C12H19N2OS/c1-9(15)8-16-12-13(2)10-6-4-5-7-11(10)14(12)3/h4-8H2,1-3H3/q+1