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

Systemtic Name: ethyl 1-ethyl-3-[2-(3-methoxypropylamino)-2-oxidanylidene-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-3-[2-(3-methoxypropylamino)-2-oxo-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-3-[2-(3-methoxypropylamino)-2-oxoethyl]-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-[2-(3-methoxypropylamino)-2-oxoethyl]-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[2-keto-2-(3-methoxypropylamino)ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C19H28N3O4+ MolecularWeight: 362.44332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O4/c1-5-21-14(3)22(13-18(23)20-10-7-11-25-4)17-12-15(8-9-16(17)21)19(24)26-6-2/h8-9,12H,5-7,10-11,13H2,1-4H3/p+1