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

Systemtic Name: ethyl 3-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 3-[2-(tert-butylamino)-2-oxo-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 3-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 3-[2-(tert-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:

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

Isomeric SMILES

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

InChI

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