2-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide

Systemtic Name: 2-(2-azanyl-3-butyl-benzimidazol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide Openeye Name: 2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide CAS Name: 2-(2-amino-3-butyl-1-benzimidazol-1-iumyl)-1-(4-methoxyphenyl)ethanone bromide IUPAC Name: 2-(2-amino-3-butylbenzimidazol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide Traditional Name: 2-(2-amino-3-butyl-benzimidazol-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide Formula: C20H24BrN3O2 MolecularWeight: 418.32746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=C(C=C3)OC.[Br-]

Isomeric SMILES

CCCCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=C(C=C3)OC.[Br-]

InChI

InChI=1S/C20H23N3O2.BrH/c1-3-4-13-22-17-7-5-6-8-18(17)23(20(22)21)14-19(24)15-9-11-16(25-2)12-10-15;/h5-12,21H,3-4,13-14H2,1-2H3;1H