1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-1-ium-1-yl)-2-phenyl-ethanone iodide

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-1-ium-1-yl)-2-phenyl-ethanone iodide Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-1-ium-1-yl)-2-phenyl-ethanone iodide CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-1-piperidin-1-iumyl)-2-phenylethanone iodide IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-1-ium-1-yl)-2-phenylethanone iodide Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-1-ium-1-yl)-2-phenyl-ethanone iodide Formula: C22H26INO3 MolecularWeight: 479.35121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)C(C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCCO4.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)C(C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCCO4.[I-]

InChI

InChI=1S/C22H26NO3.HI/c1-23(12-6-3-7-13-23)21(17-8-4-2-5-9-17)22(24)18-10-11-19-20(16-18)26-15-14-25-19;/h2,4-5,8-11,16,21H,3,6-7,12-15H2,1H3;1H/q+1;/p-1