ethyl 1-ethyl-3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 1-ethyl-3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[2-keto-2-[2-(4-methoxyphenyl)ethylamino]ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C24H30N3O4+ MolecularWeight: 424.5127

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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=C(C=C3)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4/c1-5-26-17(3)27(22-15-19(9-12-21(22)26)24(29)31-6-2)16-23(28)25-14-13-18-7-10-20(30-4)11-8-18/h7-12,15H,5-6,13-14,16H2,1-4H3/p+1