AC1LU9XE

3-(6-ethoxycarbonyl-3-ethyl-2-methylbenzimidazol-3-ium-1-yl)propane-1-sulfonate

Also Known As: 1,3-Didecanoylhexahydropyrimidin|3-[6-(ethoxycarbonyl)-3-ethyl-2-methyl-3H-benzimidazol-1-ium-1-yl]propane-1-sulfonate|BAS 00569655|3-(6-ethoxycarbonyl-3-ethyl-2-methylbenzimidazol-3-ium-1-yl)propane-1-sulfonate|5-(ethoxycarbonyl)-1-ethyl-2-methyl-3-(3-sulfonatopropyl)-1H-1,3-benzodiazol-3-ium|1H-Benzimidazolium,5-(ethoxycarbonyl)-1-ethyl-2-methyl-3-(3-sulfopropyl)-, inner salt|3-(5-(Ethoxycarbonyl)-1-ethyl-2-methyl-1H-benzo[d]imidazol-3-ium-3-yl)propane-1-sulfonate|3-[5-(ethoxycarbonyl)-1-ethyl-2-methyl-1H-3,1-benzimidazol-3-ium-3-yl]propane-1-sulfonate|3-[6-(ethoxycarbonyl)-3-ethyl-2-methylbenzimidazolyl]propanesulfonic acid|3-(6-ethoxycarbonyl-3-ethyl-2-methyl-benzimidazol-3-ium-1-yl)propane-1-sulfonate|3-[5-(ethoxycarbonyl)-1-ethyl-2-methylbenzimidazol-3-yl]propanesulfonic acid|3-[6-(Ethoxycarbonyl)-3-ethyl-2-methyl-1H-1,3-benzimidazol-3-ium-1-yl]propane-1-sulfonate|3-[6-(Ethoxycarbonyl)-3-ethyl-2-methyl-1H-benzimidazol-3-ium-1-yl]propane-1-sulfonate

Molecular Formula	C16H22N2O5S
Molecular Weight	354.12494 g/mol
LogP	1.36912
Topological Polar Surface Area	92.31 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	354.12494
Monoisotopic Mass	354.12494
Heavy Atoms	24
Complexity	854.9652

Chemical Identifiers

CAS Number	32634-39-2
SMILES	CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CCCS(=O)(=O)[O-])C