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

Systemtic Name: trimethyl-[1-oxidanylidene-3-phenyl-1-[8-[4-(phenylcarbonyloxy)phenoxy]octoxy]propan-2-yl]azanium iodide Openeye Name: [2-[8-(4-benzoyloxyphenoxy)octoxy]-1-benzyl-2-oxo-ethyl]-trimethyl-ammonium iodide CAS Name: [1-[8-(4-benzoyloxyphenoxy)octoxy]-1-oxo-3-phenylpropan-2-yl]-trimethylammonium iodide IUPAC Name: [1-[8-(4-benzoyloxyphenoxy)octoxy]-1-oxo-3-phenylpropan-2-yl]-trimethylazanium iodide Traditional Name: [2-[8-(4-benzoyloxyphenoxy)octoxy]-1-benzyl-2-keto-ethyl]-trimethyl-ammonium iodide Formula: C33H42INO5 MolecularWeight: 659.59475

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(CC1=CC=CC=C1)C(=O)OCCCCCCCCOC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+](C)(C)C(CC1=CC=CC=C1)C(=O)OCCCCCCCCOC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C33H42NO5.HI/c1-34(2,3)31(26-27-16-10-8-11-17-27)33(36)38-25-15-7-5-4-6-14-24-37-29-20-22-30(23-21-29)39-32(35)28-18-12-9-13-19-28;/h8-13,16-23,31H,4-7,14-15,24-26H2,1-3H3;1H/q+1;/p-1