[4-[2-[8-(2-ethanoylphenoxy)octoxy]-2-oxidanylidene-ethyl]phenyl]-trimethyl-azanium iodide

Systemtic Name: [4-[2-[8-(2-ethanoylphenoxy)octoxy]-2-oxidanylidene-ethyl]phenyl]-trimethyl-azanium iodide Openeye Name: [4-[2-[8-(2-acetylphenoxy)octoxy]-2-oxo-ethyl]phenyl]-trimethyl-ammonium iodide CAS Name: [4-[2-[8-(2-acetylphenoxy)octoxy]-2-oxoethyl]phenyl]-trimethylammonium iodide IUPAC Name: [4-[2-[8-(2-acetylphenoxy)octoxy]-2-oxoethyl]phenyl]-trimethylazanium iodide Traditional Name: [4-[2-[8-(2-acetylphenoxy)octoxy]-2-keto-ethyl]phenyl]-trimethyl-ammonium iodide Formula: C27H38INO4 MolecularWeight: 567.49939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1OCCCCCCCCOC(=O)CC2=CC=C(C=C2)[N+](C)(C)C.[I-]

Isomeric SMILES

CC(=O)C1=CC=CC=C1OCCCCCCCCOC(=O)CC2=CC=C(C=C2)[N+](C)(C)C.[I-]

InChI

InChI=1S/C27H38NO4.HI/c1-22(29)25-13-9-10-14-26(25)31-19-11-7-5-6-8-12-20-32-27(30)21-23-15-17-24(18-16-23)28(2,3)4;/h9-10,13-18H,5-8,11-12,19-21H2,1-4H3;1H/q+1;/p-1