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

Systemtic Name: 1-[3-(piperidin-1-ium-1-ylmethyl)-4-propan-2-yloxy-phenyl]ethanone Openeye Name: 1-[4-isopropoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethanone CAS Name: 1-[3-(1-piperidin-1-iumylmethyl)-4-propan-2-yloxyphenyl]ethanone IUPAC Name: 1-[3-(piperidin-1-ium-1-ylmethyl)-4-propan-2-yloxyphenyl]ethanone Traditional Name: 1-[4-isopropoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethanone Formula: C17H26NO2+ MolecularWeight: 276.39384

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO2/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/p+1