1-[2-(3-piperidin-1-ium-1-ylpropoxy)phenyl]propan-1-one

Systemtic Name: 1-[2-(3-piperidin-1-ium-1-ylpropoxy)phenyl]propan-1-one Openeye Name: 1-[2-(3-piperidin-1-ium-1-ylpropoxy)phenyl]propan-1-one CAS Name: 1-[2-[3-(1-piperidin-1-iumyl)propoxy]phenyl]-1-propanone IUPAC Name: 1-[2-(3-piperidin-1-ium-1-ylpropoxy)phenyl]propan-1-one Traditional Name: 1-[2-(3-piperidin-1-ium-1-ylpropoxy)phenyl]propan-1-one Formula: C17H26NO2+ MolecularWeight: 276.39384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=CC=C1OCCC[NH+]2CCCCC2

Isomeric SMILES

CCC(=O)C1=CC=CC=C1OCCC[NH+]2CCCCC2

InChI

InChI=1S/C17H25NO2/c1-2-16(19)15-9-4-5-10-17(15)20-14-8-13-18-11-6-3-7-12-18/h4-5,9-10H,2-3,6-8,11-14H2,1H3/p+1