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

Systemtic Name: ethyl 3-[(2-bromophenyl)methyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 3-[(2-bromophenyl)methyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 3-[(2-bromophenyl)methyl]-1-ethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-bromophenyl)methyl]-1-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 3-(2-bromobenzyl)-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C20H22BrN2O2+ MolecularWeight: 402.30488

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC3=CC=CC=C3Br)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC3=CC=CC=C3Br)C

InChI

InChI=1S/C20H22BrN2O2/c1-4-22-14(3)23(13-16-8-6-7-9-17(16)21)19-12-15(10-11-18(19)22)20(24)25-5-2/h6-12H,4-5,13H2,1-3H3/q+1