3-(6-chloranyl-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl)propane-1-sulfonate

Systemtic Name: 3-(6-chloranyl-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl)propane-1-sulfonate Openeye Name: 3-(6-chloro-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl)propane-1-sulfonate CAS Name: 3-(6-chloro-3-ethyl-2-methyl-1-benzimidazol-3-iumyl)-1-propanesulfonate IUPAC Name: 3-(6-chloro-3-ethyl-2-methylbenzimidazol-3-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(6-chloro-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl)propane-1-sulfonate Formula: C13H17ClN2O3S MolecularWeight: 316.80368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)Cl)CCCS(=O)(=O)[O-])C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)Cl)CCCS(=O)(=O)[O-])C

InChI

InChI=1S/C13H17ClN2O3S/c1-3-15-10(2)16(7-4-8-20(17,18)19)13-9-11(14)5-6-12(13)15/h5-6,9H,3-4,7-8H2,1-2H3