2-[2-[2-azanyl-1-(diethylamino)ethyl]-3H-benzimidazol-1-ium-1-yl]-1-(4-methylphenyl)ethanone hydrobromide

Systemtic Name: 2-[2-[2-azanyl-1-(diethylamino)ethyl]-3H-benzimidazol-1-ium-1-yl]-1-(4-methylphenyl)ethanone hydrobromide Openeye Name: 2-[2-[2-amino-1-(diethylamino)ethyl]-3H-benzimidazol-1-ium-1-yl]-1-(p-tolyl)ethanone hydrobromide CAS Name: 2-[2-[2-amino-1-(diethylamino)ethyl]-3H-benzimidazol-1-ium-1-yl]-1-(4-methylphenyl)ethanone hydrobromide IUPAC Name: 2-[2-[2-amino-1-(diethylamino)ethyl]-3H-benzimidazol-1-ium-1-yl]-1-(4-methylphenyl)ethanone hydrobromide Traditional Name: 2-[2-[2-amino-1-(diethylamino)ethyl]-3H-benzimidazol-1-ium-1-yl]-1-(p-tolyl)ethanone hydrobromide Formula: C22H30BrN4O+ MolecularWeight: 446.4038

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CN)C1=[N+](C2=CC=CC=C2N1)CC(=O)C3=CC=C(C=C3)C.Br

Isomeric SMILES

CCN(CC)C(CN)C1=[N+](C2=CC=CC=C2N1)CC(=O)C3=CC=C(C=C3)C.Br

InChI

InChI=1S/C22H28N4O.BrH/c1-4-25(5-2)20(14-23)22-24-18-8-6-7-9-19(18)26(22)15-21(27)17-12-10-16(3)11-13-17;/h6-13,20H,4-5,14-15,23H2,1-3H3;1H/p+1