1-[4-(2-methylpropoxy)phenyl]-3-piperidin-1-ium-1-yl-propan-1-one chloride

Systemtic Name: 1-[4-(2-methylpropoxy)phenyl]-3-piperidin-1-ium-1-yl-propan-1-one chloride Openeye Name: 1-(4-isobutoxyphenyl)-3-piperidin-1-ium-1-yl-propan-1-one chloride CAS Name: 1-[4-(2-methylpropoxy)phenyl]-3-(1-piperidin-1-iumyl)-1-propanone chloride IUPAC Name: 1-[4-(2-methylpropoxy)phenyl]-3-piperidin-1-ium-1-ylpropan-1-one chloride Traditional Name: 1-(4-isobutoxyphenyl)-3-piperidin-1-ium-1-yl-propan-1-one chloride Formula: C18H28ClNO2 MolecularWeight: 325.87342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)CC[NH+]2CCCCC2.[Cl-]

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)CC[NH+]2CCCCC2.[Cl-]

InChI

InChI=1S/C18H27NO2.ClH/c1-15(2)14-21-17-8-6-16(7-9-17)18(20)10-13-19-11-4-3-5-12-19;/h6-9,15H,3-5,10-14H2,1-2H3;1H