1-[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]butan-1-one chloride

Systemtic Name: 1-[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]butan-1-one chloride Openeye Name: 1-[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]butan-1-one chloride CAS Name: 1-[2-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-1-butanone chloride IUPAC Name: 1-[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]butan-1-one chloride Traditional Name: 1-[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]butan-1-one chloride Formula: C17H26ClNO2 MolecularWeight: 311.84684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC=CC=C1OCC[NH+]2CCCCC2.[Cl-]

Isomeric SMILES

CCCC(=O)C1=CC=CC=C1OCC[NH+]2CCCCC2.[Cl-]

InChI

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