phenyl-[2-(2-piperidin-1-ium-1-ylpropoxy)phenyl]methanone bromide

Systemtic Name: phenyl-[2-(2-piperidin-1-ium-1-ylpropoxy)phenyl]methanone bromide Openeye Name: phenyl-[2-(2-piperidin-1-ium-1-ylpropoxy)phenyl]methanone bromide CAS Name: phenyl-[2-[2-(1-piperidin-1-iumyl)propoxy]phenyl]methanone bromide IUPAC Name: phenyl-[2-(2-piperidin-1-ium-1-ylpropoxy)phenyl]methanone bromide Traditional Name: phenyl-[2-(2-piperidin-1-ium-1-ylpropoxy)phenyl]methanone bromide Formula: C21H26BrNO2 MolecularWeight: 404.34064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=CC=C1C(=O)C2=CC=CC=C2)[NH+]3CCCCC3.[Br-]

Isomeric SMILES

CC(COC1=CC=CC=C1C(=O)C2=CC=CC=C2)[NH+]3CCCCC3.[Br-]

InChI

InChI=1S/C21H25NO2.BrH/c1-17(22-14-8-3-9-15-22)16-24-20-13-7-6-12-19(20)21(23)18-10-4-2-5-11-18;/h2,4-7,10-13,17H,3,8-9,14-16H2,1H3;1H