ethyl 1-ethyl-2-methyl-3-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-methyl-3-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-2-methyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-2-methyl-3-[2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl]-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-methyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N3O3/c1-7-24-16(5)25(13-21(26)18-11-14(3)23(6)15(18)4)20-12-17(9-10-19(20)24)22(27)28-8-2/h9-12H,7-8,13H2,1-6H3/q+1