2-[2-azanyl-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(4-bromophenyl)ethanone

Systemtic Name: 2-[2-azanyl-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(4-bromophenyl)ethanone Openeye Name: 2-[2-amino-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(4-bromophenyl)ethanone CAS Name: 2-[2-amino-3-(2-diethylaminoethyl)-1-benzimidazol-1-iumyl]-1-(4-bromophenyl)ethanone IUPAC Name: 2-[2-amino-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(4-bromophenyl)ethanone Traditional Name: 2-[2-amino-3-(2-diethylaminoethyl)benzimidazol-1-ium-1-yl]-1-(4-bromophenyl)ethanone Formula: C21H26BrN4O+ MolecularWeight: 430.36134

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCN(CC)CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN4O/c1-3-24(4-2)13-14-25-18-7-5-6-8-19(18)26(21(25)23)15-20(27)16-9-11-17(22)12-10-16/h5-12,23H,3-4,13-15H2,1-2H3/p+1