2-[1-[(2-methoxyphenyl)methyl]-1-methyl-pyrrolidin-1-ium-2-yl]-1,3-diphenyl-propan-2-ol iodide

Systemtic Name: 2-[1-[(2-methoxyphenyl)methyl]-1-methyl-pyrrolidin-1-ium-2-yl]-1,3-diphenyl-propan-2-ol iodide Openeye Name: 2-[1-[(2-methoxyphenyl)methyl]-1-methyl-pyrrolidin-1-ium-2-yl]-1,3-diphenyl-propan-2-ol iodide CAS Name: 2-[1-[(2-methoxyphenyl)methyl]-1-methyl-2-pyrrolidin-1-iumyl]-1,3-diphenyl-2-propanol iodide IUPAC Name: 2-[1-[(2-methoxyphenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]-1,3-diphenylpropan-2-ol iodide Traditional Name: 2-(1-methyl-1-o-anisyl-pyrrolidin-1-ium-2-yl)-1,3-diphenyl-propan-2-ol iodide Formula: C28H34INO2 MolecularWeight: 543.47953

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1C(CC2=CC=CC=C2)(CC3=CC=CC=C3)O)CC4=CC=CC=C4OC.[I-]

Isomeric SMILES

C[N+]1(CCCC1C(CC2=CC=CC=C2)(CC3=CC=CC=C3)O)CC4=CC=CC=C4OC.[I-]

InChI

InChI=1S/C28H34NO2.HI/c1-29(22-25-16-9-10-17-26(25)31-2)19-11-18-27(29)28(30,20-23-12-5-3-6-13-23)21-24-14-7-4-8-15-24;/h3-10,12-17,27,30H,11,18-22H2,1-2H3;1H/q+1;/p-1