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

Systemtic Name: 1-(3-bromophenyl)-2-[2-(3-oxidanylpropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone Openeye Name: 1-(3-bromophenyl)-2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone CAS Name: 1-(3-bromophenyl)-2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone IUPAC Name: 1-(3-bromophenyl)-2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone Traditional Name: 1-(3-bromophenyl)-2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone Formula: C18H19BrN3O2+ MolecularWeight: 389.26636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O2/c19-14-6-3-5-13(11-14)17(24)12-22-16-8-2-1-7-15(16)21-18(22)20-9-4-10-23/h1-3,5-8,11,23H,4,9-10,12H2,(H,20,21)/p+1