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

Systemtic Name: ethyl 1-ethyl-3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C23H27FN3O3+ MolecularWeight: 412.477183

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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)F)C

Isomeric SMILES

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

InChI

InChI=1S/C23H26FN3O3/c1-4-26-16(3)27(21-14-18(8-11-20(21)26)23(29)30-5-2)15-22(28)25-13-12-17-6-9-19(24)10-7-17/h6-11,14H,4-5,12-13,15H2,1-3H3/p+1