ethyl 1-ethyl-2-methyl-3-octyl-benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-methyl-3-octyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-2-methyl-3-octyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-2-methyl-3-octyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-methyl-3-octylbenzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-2-methyl-3-octyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C21H33N2O2+ MolecularWeight: 345.49892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=[N+](C2=C1C=C(C=C2)C(=O)OCC)CC)C

Isomeric SMILES

CCCCCCCCN1C(=[N+](C2=C1C=C(C=C2)C(=O)OCC)CC)C

InChI

InChI=1S/C21H33N2O2/c1-5-8-9-10-11-12-15-23-17(4)22(6-2)19-14-13-18(16-20(19)23)21(24)25-7-3/h13-14,16H,5-12,15H2,1-4H3/q+1