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

Systemtic Name: trimethyl-[4-[2-oxidanylidene-2-[8-(3-phenylmethoxyphenoxy)octoxy]ethyl]phenyl]azanium iodide Openeye Name: [4-[2-[8-(3-benzyloxyphenoxy)octoxy]-2-oxo-ethyl]phenyl]-trimethyl-ammonium iodide CAS Name: trimethyl-[4-[2-oxo-2-[8-(3-phenylmethoxyphenoxy)octoxy]ethyl]phenyl]ammonium iodide IUPAC Name: trimethyl-[4-[2-oxo-2-[8-(3-phenylmethoxyphenoxy)octoxy]ethyl]phenyl]azanium iodide Traditional Name: [4-[2-[8-(3-benzoxyphenoxy)octoxy]-2-keto-ethyl]phenyl]-trimethyl-ammonium iodide Formula: C32H42INO4 MolecularWeight: 631.58465

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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)OCC3=CC=CC=C3.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C32H42NO4.HI/c1-33(2,3)29-20-18-27(19-21-29)24-32(34)36-23-12-7-5-4-6-11-22-35-30-16-13-17-31(25-30)37-26-28-14-9-8-10-15-28;/h8-10,13-21,25H,4-7,11-12,22-24,26H2,1-3H3;1H/q+1;/p-1