1'-methyl-1'-(phenylmethyl)spiro[3H-isochromene-4,4'-piperidin-1-ium]-1-one iodide

Systemtic Name: 1'-methyl-1'-(phenylmethyl)spiro[3H-isochromene-4,4'-piperidin-1-ium]-1-one iodide Openeye Name: 1'-benzyl-1'-methyl-spiro[isochromane-4,4'-piperidin-1-ium]-1-one iodide CAS Name: 1'-methyl-1'-(phenylmethyl)-1-spiro[3,4-dihydro-1H-2-benzopyran-4,4'-piperidin-1-ium]one iodide IUPAC Name: 1'-benzyl-1'-methylspiro[3H-isochromene-4,4'-piperidin-1-ium]-1-one iodide Traditional Name: 1'-benzyl-1'-methyl-spiro[isochroman-4,4'-piperidin-1-ium]-1-one iodide Formula: C21H24INO2 MolecularWeight: 449.32523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2(CC1)COC(=O)C3=CC=CC=C23)CC4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+]1(CCC2(CC1)COC(=O)C3=CC=CC=C23)CC4=CC=CC=C4.[I-]

InChI

InChI=1S/C21H24NO2.HI/c1-22(15-17-7-3-2-4-8-17)13-11-21(12-14-22)16-24-20(23)18-9-5-6-10-19(18)21;/h2-10H,11-16H2,1H3;1H/q+1;/p-1