1-[4-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]butan-1-one chloride

Systemtic Name: 1-[4-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]butan-1-one chloride Openeye Name: 1-[4-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]butan-1-one chloride CAS Name: 1-[4-methoxy-2-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-1-butanone chloride IUPAC Name: 1-[4-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]butan-1-one chloride Traditional Name: 1-[4-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]butan-1-one chloride Formula: C18H28ClNO3 MolecularWeight: 341.87282

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C=C(C=C1)OC)OCC[NH+]2CCCCC2.[Cl-]

Isomeric SMILES

CCCC(=O)C1=C(C=C(C=C1)OC)OCC[NH+]2CCCCC2.[Cl-]

InChI

InChI=1S/C18H27NO3.ClH/c1-3-7-17(20)16-9-8-15(21-2)14-18(16)22-13-12-19-10-5-4-6-11-19;/h8-9,14H,3-7,10-13H2,1-2H3;1H