trimethyl-[4-[2-oxidanylidene-2-[12-(4-phenylmethoxyphenoxy)dodecoxy]ethyl]phenyl]azanium iodide

Systemtic Name: trimethyl-[4-[2-oxidanylidene-2-[12-(4-phenylmethoxyphenoxy)dodecoxy]ethyl]phenyl]azanium iodide Openeye Name: [4-[2-[12-(4-benzyloxyphenoxy)dodecoxy]-2-oxo-ethyl]phenyl]-trimethyl-ammonium iodide CAS Name: trimethyl-[4-[2-oxo-2-[12-(4-phenylmethoxyphenoxy)dodecoxy]ethyl]phenyl]ammonium iodide IUPAC Name: trimethyl-[4-[2-oxo-2-[12-(4-phenylmethoxyphenoxy)dodecoxy]ethyl]phenyl]azanium iodide Traditional Name: [4-[2-[12-(4-benzoxyphenoxy)dodecoxy]-2-keto-ethyl]phenyl]-trimethyl-ammonium iodide Formula: C36H50INO4 MolecularWeight: 687.69097

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCCCCCCCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCCCCCCCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3.[I-]

InChI

InChI=1S/C36H50NO4.HI/c1-37(2,3)33-21-19-31(20-22-33)29-36(38)40-28-16-11-9-7-5-4-6-8-10-15-27-39-34-23-25-35(26-24-34)41-30-32-17-13-12-14-18-32;/h12-14,17-26H,4-11,15-16,27-30H2,1-3H3;1H/q+1;/p-1