butyl 2-[2-(4-ethylphenyl)-3-methyl-benzimidazol-3-ium-1-yl]ethanoate bromide

Systemtic Name: butyl 2-[2-(4-ethylphenyl)-3-methyl-benzimidazol-3-ium-1-yl]ethanoate bromide Openeye Name: butyl 2-[2-(4-ethylphenyl)-3-methyl-benzimidazol-3-ium-1-yl]acetate bromide CAS Name: 2-[2-(4-ethylphenyl)-3-methyl-1-benzimidazol-3-iumyl]acetic acid butyl ester bromide IUPAC Name: butyl 2-[2-(4-ethylphenyl)-3-methylbenzimidazol-3-ium-1-yl]acetate bromide Traditional Name: 2-[2-(4-ethylphenyl)-3-methyl-benzimidazol-3-ium-1-yl]acetic acid butyl ester bromide Formula: C22H27BrN2O2 MolecularWeight: 431.36598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CN1C2=CC=CC=C2[N+](=C1C3=CC=C(C=C3)CC)C.[Br-]

Isomeric SMILES

CCCCOC(=O)CN1C2=CC=CC=C2[N+](=C1C3=CC=C(C=C3)CC)C.[Br-]

InChI

InChI=1S/C22H27N2O2.BrH/c1-4-6-15-26-21(25)16-24-20-10-8-7-9-19(20)23(3)22(24)18-13-11-17(5-2)12-14-18;/h7-14H,4-6,15-16H2,1-3H3;1H/q+1;/p-1