diethyl 1-ethyl-2-methyl-3-octyl-benzimidazol-3-ium-5,6-dicarboxylate

Systemtic Name: diethyl 1-ethyl-2-methyl-3-octyl-benzimidazol-3-ium-5,6-dicarboxylate Openeye Name: diethyl 1-ethyl-2-methyl-3-octyl-benzimidazol-3-ium-5,6-dicarboxylate CAS Name: 1-ethyl-2-methyl-3-octylbenzimidazol-3-ium-5,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-ethyl-2-methyl-3-octylbenzimidazol-3-ium-5,6-dicarboxylate Traditional Name: 1-ethyl-2-methyl-3-octyl-benzimidazol-3-ium-5,6-dicarboxylic acid diethyl ester Formula: C24H37N2O4+ MolecularWeight: 417.56158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H37N2O4/c1-6-10-11-12-13-14-15-26-18(5)25(7-2)21-16-19(23(27)29-8-3)20(17-22(21)26)24(28)30-9-4/h16-17H,6-15H2,1-5H3/q+1