[4-[2-[8-(3-methoxycarbonylphenoxy)octoxy]-2-oxidanylidene-ethyl]phenyl]-trimethyl-azanium iodide

Systemtic Name: [4-[2-[8-(3-methoxycarbonylphenoxy)octoxy]-2-oxidanylidene-ethyl]phenyl]-trimethyl-azanium iodide Openeye Name: [4-[2-[8-(3-methoxycarbonylphenoxy)octoxy]-2-oxo-ethyl]phenyl]-trimethyl-ammonium iodide CAS Name: [4-[2-[8-(3-methoxycarbonylphenoxy)octoxy]-2-oxoethyl]phenyl]-trimethylammonium iodide IUPAC Name: [4-[2-[8-(3-methoxycarbonylphenoxy)octoxy]-2-oxoethyl]phenyl]-trimethylazanium iodide Traditional Name: [4-[2-[8-(3-carbomethoxyphenoxy)octoxy]-2-keto-ethyl]phenyl]-trimethyl-ammonium iodide Formula: C27H38INO5 MolecularWeight: 583.49879

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38NO5.HI/c1-28(2,3)24-16-14-22(15-17-24)20-26(29)33-19-10-8-6-5-7-9-18-32-25-13-11-12-23(21-25)27(30)31-4;/h11-17,21H,5-10,18-20H2,1-4H3;1H/q+1;/p-1