ethyl 3-[2-(butylamino)-2-oxidanylidene-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 3-[2-(butylamino)-2-oxidanylidene-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 3-[2-(butylamino)-2-oxo-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 3-[2-(butylamino)-2-oxoethyl]-1-ethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(butylamino)-2-oxoethyl]-1-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 3-[2-(butylamino)-2-keto-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C19H28N3O3+ MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1C(=[N+](C2=C1C=C(C=C2)C(=O)OCC)CC)C

Isomeric SMILES

CCCCNC(=O)CN1C(=[N+](C2=C1C=C(C=C2)C(=O)OCC)CC)C

InChI

InChI=1S/C19H27N3O3/c1-5-8-11-20-18(23)13-22-14(4)21(6-2)16-10-9-15(12-17(16)22)19(24)25-7-3/h9-10,12H,5-8,11,13H2,1-4H3/p+1