ethyl 1-ethyl-2-methyl-3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-methyl-3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-2-methyl-3-(2-morpholino-2-oxo-ethyl)benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-2-methyl-3-[2-(4-morpholinyl)-2-oxoethyl]-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-(2-keto-2-morpholino-ethyl)-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C19H26N3O4+ MolecularWeight: 360.42744

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)N3CCOCC3)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)N3CCOCC3)C

InChI

InChI=1S/C19H26N3O4/c1-4-21-14(3)22(13-18(23)20-8-10-25-11-9-20)17-12-15(6-7-16(17)21)19(24)26-5-2/h6-7,12H,4-5,8-11,13H2,1-3H3/q+1