1-[3-(piperidin-1-ium-1-ylmethyl)-4-propan-2-yloxy-phenyl]ethanone chloride

Systemtic Name: 1-[3-(piperidin-1-ium-1-ylmethyl)-4-propan-2-yloxy-phenyl]ethanone chloride Openeye Name: 1-[4-isopropoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethanone chloride CAS Name: 1-[3-(1-piperidin-1-iumylmethyl)-4-propan-2-yloxyphenyl]ethanone chloride IUPAC Name: 1-[3-(piperidin-1-ium-1-ylmethyl)-4-propan-2-yloxyphenyl]ethanone chloride Traditional Name: 1-[4-isopropoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethanone chloride Formula: C17H26ClNO2 MolecularWeight: 311.84684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)C)C[NH+]2CCCCC2.[Cl-]

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)C)C[NH+]2CCCCC2.[Cl-]

InChI

InChI=1S/C17H25NO2.ClH/c1-13(2)20-17-8-7-15(14(3)19)11-16(17)12-18-9-5-4-6-10-18;/h7-8,11,13H,4-6,9-10,12H2,1-3H3;1H