dimethyl-(oxan-4-yl)-[1-oxidanylidene-3-phenyl-1-[8-(4-phenylmethoxyphenoxy)octoxy]propan-2-yl]azanium iodide

Systemtic Name: dimethyl-(oxan-4-yl)-[1-oxidanylidene-3-phenyl-1-[8-(4-phenylmethoxyphenoxy)octoxy]propan-2-yl]azanium iodide Openeye Name: [1-benzyl-2-[8-(4-benzyloxyphenoxy)octoxy]-2-oxo-ethyl]-dimethyl-tetrahydropyran-4-yl-ammonium iodide CAS Name: dimethyl-(4-oxanyl)-[1-oxo-3-phenyl-1-[8-(4-phenylmethoxyphenoxy)octoxy]propan-2-yl]ammonium iodide IUPAC Name: dimethyl-(oxan-4-yl)-[1-oxo-3-phenyl-1-[8-(4-phenylmethoxyphenoxy)octoxy]propan-2-yl]azanium iodide Traditional Name: [2-[8-(4-benzoxyphenoxy)octoxy]-1-benzyl-2-keto-ethyl]-dimethyl-tetrahydropyran-4-yl-ammonium iodide Formula: C37H50INO5 MolecularWeight: 715.70107

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1CCOCC1)C(CC2=CC=CC=C2)C(=O)OCCCCCCCCOC3=CC=C(C=C3)OCC4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+](C)(C1CCOCC1)C(CC2=CC=CC=C2)C(=O)OCCCCCCCCOC3=CC=C(C=C3)OCC4=CC=CC=C4.[I-]

InChI

InChI=1S/C37H50NO5.HI/c1-38(2,33-23-27-40-28-24-33)36(29-31-15-9-7-10-16-31)37(39)42-26-14-6-4-3-5-13-25-41-34-19-21-35(22-20-34)43-30-32-17-11-8-12-18-32;/h7-12,15-22,33,36H,3-6,13-14,23-30H2,1-2H3;1H/q+1;/p-1