ethyl 3-[2,3-bis(oxidanyl)propyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 3-[2,3-bis(oxidanyl)propyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 3-(2,3-dihydroxypropyl)-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 3-(2,3-dihydroxypropyl)-1-ethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-(2,3-dihydroxypropyl)-1-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-glyceryl-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C16H23N2O4+ MolecularWeight: 307.36482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(CO)O)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(CO)O)C

InChI

InChI=1S/C16H23N2O4/c1-4-17-11(3)18(9-13(20)10-19)15-8-12(6-7-14(15)17)16(21)22-5-2/h6-8,13,19-20H,4-5,9-10H2,1-3H3/q+1