3-[5,6-bis(chloranyl)-2,3-dimethyl-benzimidazol-3-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[5,6-bis(chloranyl)-2,3-dimethyl-benzimidazol-3-ium-1-yl]propane-1-sulfonate Openeye Name: 3-(5,6-dichloro-2,3-dimethyl-benzimidazol-3-ium-1-yl)propane-1-sulfonate CAS Name: 3-(5,6-dichloro-2,3-dimethyl-1-benzimidazol-3-iumyl)-1-propanesulfonate IUPAC Name: 3-(5,6-dichloro-2,3-dimethylbenzimidazol-3-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(5,6-dichloro-2,3-dimethyl-benzimidazol-3-ium-1-yl)propane-1-sulfonate Formula: C12H14Cl2N2O3S MolecularWeight: 337.22216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC(=C(C=C2N1CCCS(=O)(=O)[O-])Cl)Cl)C

Isomeric SMILES

CC1=[N+](C2=CC(=C(C=C2N1CCCS(=O)(=O)[O-])Cl)Cl)C

InChI

InChI=1S/C12H14Cl2N2O3S/c1-8-15(2)11-6-9(13)10(14)7-12(11)16(8)4-3-5-20(17,18)19/h6-7H,3-5H2,1-2H3