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

Systemtic Name: ethyl 3-[(3,4-dichlorophenyl)methyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 3-[(3,4-dichlorophenyl)methyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 3-[(3,4-dichlorophenyl)methyl]-1-ethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3,4-dichlorophenyl)methyl]-1-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 3-(3,4-dichlorobenzyl)-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C20H21Cl2N2O2+ MolecularWeight: 392.29894

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC3=CC(=C(C=C3)Cl)Cl)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC3=CC(=C(C=C3)Cl)Cl)C

InChI

InChI=1S/C20H21Cl2N2O2/c1-4-23-13(3)24(12-14-6-8-16(21)17(22)10-14)19-11-15(7-9-18(19)23)20(25)26-5-2/h6-11H,4-5,12H2,1-3H3/q+1