1-(4-butoxyphenyl)-3-piperidin-1-ium-1-yl-propan-1-one chloride

Systemtic Name: 1-(4-butoxyphenyl)-3-piperidin-1-ium-1-yl-propan-1-one chloride Openeye Name: 1-(4-butoxyphenyl)-3-piperidin-1-ium-1-yl-propan-1-one chloride CAS Name: 1-(4-butoxyphenyl)-3-(1-piperidin-1-iumyl)-1-propanone chloride IUPAC Name: 1-(4-butoxyphenyl)-3-piperidin-1-ium-1-ylpropan-1-one chloride Traditional Name: 1-(4-butoxyphenyl)-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:

CCCCOC1=CC=C(C=C1)C(=O)CC[NH+]2CCCCC2.[Cl-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)CC[NH+]2CCCCC2.[Cl-]

InChI

InChI=1S/C18H27NO2.ClH/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19;/h7-10H,2-6,11-15H2,1H3;1H