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

Systemtic Name: ethyl 3-[2-(2-chloranylphenoxy)ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 3-[2-(2-chlorophenoxy)ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 3-[2-(2-chlorophenoxy)ethyl]-1-ethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(2-chlorophenoxy)ethyl]-1-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 3-[2-(2-chlorophenoxy)ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C21H24ClN2O3+ MolecularWeight: 387.87986

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CCOC3=CC=CC=C3Cl)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CCOC3=CC=CC=C3Cl)C

InChI

InChI=1S/C21H24ClN2O3/c1-4-23-15(3)24(12-13-27-20-9-7-6-8-17(20)22)19-14-16(10-11-18(19)23)21(25)26-5-2/h6-11,14H,4-5,12-13H2,1-3H3/q+1