(1-octylpyridin-1-ium-3-yl)-phenyl-methanone bromide

Systemtic Name: (1-octylpyridin-1-ium-3-yl)-phenyl-methanone bromide Openeye Name: (1-octylpyridin-1-ium-3-yl)-phenyl-methanone bromide CAS Name: (1-octyl-3-pyridin-1-iumyl)-phenylmethanone bromide IUPAC Name: (1-octylpyridin-1-ium-3-yl)-phenylmethanone bromide Traditional Name: (1-octylpyridin-1-ium-3-yl)-phenyl-methanone bromide Formula: C20H26BrNO MolecularWeight: 376.33054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=CC=CC(=C1)C(=O)C2=CC=CC=C2.[Br-]

Isomeric SMILES

CCCCCCCC[N+]1=CC=CC(=C1)C(=O)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C20H26NO.BrH/c1-2-3-4-5-6-10-15-21-16-11-14-19(17-21)20(22)18-12-8-7-9-13-18;/h7-9,11-14,16-17H,2-6,10,15H2,1H3;1H/q+1;/p-1