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

Systemtic Name: 1-naphthalen-1-yl-2-[2-(3-oxidanylpropylamino)-3H-benzimidazol-1-ium-1-yl]ethanone bromide Openeye Name: 2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]-1-(1-naphthyl)ethanone bromide CAS Name: 2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]-1-(1-naphthalenyl)ethanone bromide IUPAC Name: 2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]-1-naphthalen-1-ylethanone bromide Traditional Name: 2-[2-(3-hydroxypropylamino)-3H-benzimidazol-1-ium-1-yl]-1-(1-naphthyl)ethanone bromide Formula: C22H22BrN3O2 MolecularWeight: 440.33298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=O)C[N+]3=C(NC4=CC=CC=C43)NCCCO.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)C[N+]3=C(NC4=CC=CC=C43)NCCCO.[Br-]

InChI

InChI=1S/C22H21N3O2.BrH/c26-14-6-13-23-22-24-19-11-3-4-12-20(19)25(22)15-21(27)18-10-5-8-16-7-1-2-9-17(16)18;/h1-5,7-12,26H,6,13-15H2,(H,23,24);1H