trimethyl-[4-[2-oxidanylidene-2-[9-(4-phenylmethoxyphenoxy)nonoxy]ethyl]phenyl]azanium iodide

Systemtic Name: trimethyl-[4-[2-oxidanylidene-2-[9-(4-phenylmethoxyphenoxy)nonoxy]ethyl]phenyl]azanium iodide Openeye Name: [4-[2-[9-(4-benzyloxyphenoxy)nonoxy]-2-oxo-ethyl]phenyl]-trimethyl-ammonium iodide CAS Name: trimethyl-[4-[2-oxo-2-[9-(4-phenylmethoxyphenoxy)nonoxy]ethyl]phenyl]ammonium iodide IUPAC Name: trimethyl-[4-[2-oxo-2-[9-(4-phenylmethoxyphenoxy)nonoxy]ethyl]phenyl]azanium iodide Traditional Name: [4-[2-[9-(4-benzoxyphenoxy)nonoxy]-2-keto-ethyl]phenyl]-trimethyl-ammonium iodide Formula: C33H44INO4 MolecularWeight: 645.61123

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCCCCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCCCCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3.[I-]

InChI

InChI=1S/C33H44NO4.HI/c1-34(2,3)30-18-16-28(17-19-30)26-33(35)37-25-13-8-6-4-5-7-12-24-36-31-20-22-32(23-21-31)38-27-29-14-10-9-11-15-29;/h9-11,14-23H,4-8,12-13,24-27H2,1-3H3;1H/q+1;/p-1