1-(1,3-benzodioxol-5-yl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide Formula: C18H18BrN3O4 MolecularWeight: 420.25722

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)C[N+]3=C(NC4=CC=CC=C43)NCCO.[Br-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)C[N+]3=C(NC4=CC=CC=C43)NCCO.[Br-]

InChI

InChI=1S/C18H17N3O4.BrH/c22-8-7-19-18-20-13-3-1-2-4-14(13)21(18)10-15(23)12-5-6-16-17(9-12)25-11-24-16;/h1-6,9,22H,7-8,10-11H2,(H,19,20);1H