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

Systemtic Name: ethyl 1-ethyl-2-methyl-3-[2-oxidanylidene-2-(phenethylamino)ethyl]benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-2-methyl-3-[2-oxo-2-(phenethylamino)ethyl]benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-2-methyl-3-[2-oxo-2-(phenethylamino)ethyl]-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-methyl-3-[2-oxo-2-(phenethylamino)ethyl]benzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[2-keto-2-(phenethylamino)ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)NCCC3=CC=CC=C3)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)NCCC3=CC=CC=C3)C

InChI

InChI=1S/C23H27N3O3/c1-4-25-17(3)26(16-22(27)24-14-13-18-9-7-6-8-10-18)21-15-19(11-12-20(21)25)23(28)29-5-2/h6-12,15H,4-5,13-14,16H2,1-3H3/p+1