ethyl 3-[2-[2,4-bis(chloranyl)phenoxy]ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 3-[2-[2,4-bis(chloranyl)phenoxy]ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 3-[2-(2,4-dichlorophenoxy)ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 3-[2-(2,4-dichlorophenoxy)ethyl]-1-ethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(2,4-dichlorophenoxy)ethyl]-1-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 3-[2-(2,4-dichlorophenoxy)ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C21H23Cl2N2O3+ MolecularWeight: 422.32492

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CCOC3=C(C=C(C=C3)Cl)Cl)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CCOC3=C(C=C(C=C3)Cl)Cl)C

InChI

InChI=1S/C21H23Cl2N2O3/c1-4-24-14(3)25(10-11-28-20-9-7-16(22)13-17(20)23)19-12-15(6-8-18(19)24)21(26)27-5-2/h6-9,12-13H,4-5,10-11H2,1-3H3/q+1