[5-chloranyl-2-oxidanylidene-1-(3-oxidanylpropyl)-3H-benzimidazol-1-ium-1-yl] methanesulfonate

Systemtic Name: [5-chloranyl-2-oxidanylidene-1-(3-oxidanylpropyl)-3H-benzimidazol-1-ium-1-yl] methanesulfonate Openeye Name: [5-chloro-1-(3-hydroxypropyl)-2-oxo-3H-benzimidazol-1-ium-1-yl] methanesulfonate CAS Name: methanesulfonic acid [5-chloro-1-(3-hydroxypropyl)-2-oxo-3H-benzimidazol-1-ium-1-yl] ester IUPAC Name: [5-chloro-1-(3-hydroxypropyl)-2-oxo-3H-benzimidazol-1-ium-1-yl] methanesulfonate Traditional Name: methanesulfonic acid [5-chloro-1-(3-hydroxypropyl)-2-keto-3H-benzimidazol-1-ium-1-yl] ester Formula: C11H14ClN2O5S+ MolecularWeight: 321.75726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O[N+]1(C2=C(C=C(C=C2)Cl)NC1=O)CCCO

Isomeric SMILES

CS(=O)(=O)O[N+]1(C2=C(C=C(C=C2)Cl)NC1=O)CCCO

InChI

InChI=1S/C11H13ClN2O5S/c1-20(17,18)19-14(5-2-6-15)10-4-3-8(12)7-9(10)13-11(14)16/h3-4,7,15H,2,5-6H2,1H3/p+1