3-(5-chloranyl-6-cyano-3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)propane-1-sulfonic acid

Systemtic Name: 3-(5-chloranyl-6-cyano-3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)propane-1-sulfonic acid Openeye Name: 3-(5-chloro-6-cyano-3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)propane-1-sulfonic acid CAS Name: 3-(5-chloro-6-cyano-3-ethyl-2-methyl-1-benzimidazol-1-iumyl)-1-propanesulfonic acid IUPAC Name: 3-(5-chloro-6-cyano-3-ethyl-2-methylbenzimidazol-1-ium-1-yl)propane-1-sulfonic acid Traditional Name: 3-(5-chloro-6-cyano-3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)propane-1-sulfonic acid Formula: C14H17ClN3O3S+ MolecularWeight: 342.82108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](C2=C1C=C(C(=C2)C#N)Cl)CCCS(=O)(=O)O)C

Isomeric SMILES

CCN1C(=[N+](C2=C1C=C(C(=C2)C#N)Cl)CCCS(=O)(=O)O)C

InChI

InChI=1S/C14H16ClN3O3S/c1-3-17-10(2)18(5-4-6-22(19,20)21)13-7-11(9-16)12(15)8-14(13)17/h7-8H,3-6H2,1-2H3/p+1