[4-[2-[8-[4-[(2-chlorophenyl)methoxy]phenoxy]octoxy]-2-oxidanylidene-ethyl]phenyl]-trimethyl-azanium iodide

Systemtic Name: [4-[2-[8-[4-[(2-chlorophenyl)methoxy]phenoxy]octoxy]-2-oxidanylidene-ethyl]phenyl]-trimethyl-azanium iodide Openeye Name: [4-[2-[8-[4-[(2-chlorophenyl)methoxy]phenoxy]octoxy]-2-oxo-ethyl]phenyl]-trimethyl-ammonium iodide CAS Name: [4-[2-[8-[4-[(2-chlorophenyl)methoxy]phenoxy]octoxy]-2-oxoethyl]phenyl]-trimethylammonium iodide IUPAC Name: [4-[2-[8-[4-[(2-chlorophenyl)methoxy]phenoxy]octoxy]-2-oxoethyl]phenyl]-trimethylazanium iodide Traditional Name: [4-[2-[8-[4-(2-chlorobenzyl)oxyphenoxy]octoxy]-2-keto-ethyl]phenyl]-trimethyl-ammonium iodide Formula: C32H41ClINO4 MolecularWeight: 666.02971

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCCCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3Cl.[I-]

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCCCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3Cl.[I-]

InChI

InChI=1S/C32H41ClNO4.HI/c1-34(2,3)28-16-14-26(15-17-28)24-32(35)37-23-11-7-5-4-6-10-22-36-29-18-20-30(21-19-29)38-25-27-12-8-9-13-31(27)33;/h8-9,12-21H,4-7,10-11,22-25H2,1-3H3;1H/q+1;/p-1