[(2S)-3-(4-hydroxyphenyl)-1-oxidanylidene-1-[8-(4-phenylmethoxyphenoxy)octoxy]propan-2-yl]-trimethyl-azanium iodide

Systemtic Name: [(2S)-3-(4-hydroxyphenyl)-1-oxidanylidene-1-[8-(4-phenylmethoxyphenoxy)octoxy]propan-2-yl]-trimethyl-azanium iodide Openeye Name: [(1S)-2-[8-(4-benzyloxyphenoxy)octoxy]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]-trimethyl-ammonium iodide CAS Name: [(2S)-3-(4-hydroxyphenyl)-1-oxo-1-[8-(4-phenylmethoxyphenoxy)octoxy]propan-2-yl]-trimethylammonium iodide IUPAC Name: [(2S)-3-(4-hydroxyphenyl)-1-oxo-1-[8-(4-phenylmethoxyphenoxy)octoxy]propan-2-yl]-trimethylazanium iodide Traditional Name: [(1S)-2-[8-(4-benzoxyphenoxy)octoxy]-1-(4-hydroxybenzyl)-2-keto-ethyl]-trimethyl-ammonium iodide Formula: C33H44INO5 MolecularWeight: 661.61063

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(CC1=CC=C(C=C1)O)C(=O)OCCCCCCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+](C)(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)OCCCCCCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3.[I-]

InChI

InChI=1S/C33H43NO5.HI/c1-34(2,3)32(25-27-15-17-29(35)18-16-27)33(36)38-24-12-7-5-4-6-11-23-37-30-19-21-31(22-20-30)39-26-28-13-9-8-10-14-28;/h8-10,13-22,32H,4-7,11-12,23-26H2,1-3H3;1H/t32-;/m0./s1