1-(3-bromophenyl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone

Systemtic Name: 1-(3-bromophenyl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone Openeye Name: 1-(3-bromophenyl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone CAS Name: 1-(3-bromophenyl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone IUPAC Name: 1-(3-bromophenyl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone Traditional Name: 1-(3-bromophenyl)-2-[2-(2-hydroxyethylamino)-3H-benzimidazol-1-ium-1-yl]ethanone Formula: C17H17BrN3O2+ MolecularWeight: 375.23978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[N+]2CC(=O)C3=CC(=CC=C3)Br)NCCO

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[N+]2CC(=O)C3=CC(=CC=C3)Br)NCCO

InChI

InChI=1S/C17H16BrN3O2/c18-13-5-3-4-12(10-13)16(23)11-21-15-7-2-1-6-14(15)20-17(21)19-8-9-22/h1-7,10,22H,8-9,11H2,(H,19,20)/p+1