[1-[8-[4-(4-acetamidophenyl)carbonyloxyphenoxy]octoxy]-1-oxidanylidene-3-phenyl-propan-2-yl]-trimethyl-azanium iodide

Systemtic Name: [1-[8-[4-(4-acetamidophenyl)carbonyloxyphenoxy]octoxy]-1-oxidanylidene-3-phenyl-propan-2-yl]-trimethyl-azanium iodide Openeye Name: [2-[8-[4-(4-acetamidobenzoyl)oxyphenoxy]octoxy]-1-benzyl-2-oxo-ethyl]-trimethyl-ammonium iodide CAS Name: [1-[8-[4-[(4-acetamidophenyl)-oxomethoxy]phenoxy]octoxy]-1-oxo-3-phenylpropan-2-yl]-trimethylammonium iodide IUPAC Name: [1-[8-[4-(4-acetamidobenzoyl)oxyphenoxy]octoxy]-1-oxo-3-phenylpropan-2-yl]-trimethylazanium iodide Traditional Name: [2-[8-[4-(4-acetamidobenzoyl)oxyphenoxy]octoxy]-1-benzyl-2-keto-ethyl]-trimethyl-ammonium iodide Formula: C35H45IN2O6 MolecularWeight: 716.64607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OCCCCCCCCOC(=O)C(CC3=CC=CC=C3)[N+](C)(C)C.[I-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OCCCCCCCCOC(=O)C(CC3=CC=CC=C3)[N+](C)(C)C.[I-]

InChI

InChI=1S/C35H44N2O6.HI/c1-27(38)36-30-18-16-29(17-19-30)34(39)43-32-22-20-31(21-23-32)41-24-12-7-5-6-8-13-25-42-35(40)33(37(2,3)4)26-28-14-10-9-11-15-28;/h9-11,14-23,33H,5-8,12-13,24-26H2,1-4H3;1H