trimethyl-[4-[2-oxidanylidene-2-[11-(4-phenylmethoxyphenoxy)undecoxy]ethyl]phenyl]azanium iodide

Systemtic Name: trimethyl-[4-[2-oxidanylidene-2-[11-(4-phenylmethoxyphenoxy)undecoxy]ethyl]phenyl]azanium iodide Openeye Name: [4-[2-[11-(4-benzyloxyphenoxy)undecoxy]-2-oxo-ethyl]phenyl]-trimethyl-ammonium iodide CAS Name: trimethyl-[4-[2-oxo-2-[11-(4-phenylmethoxyphenoxy)undecoxy]ethyl]phenyl]ammonium iodide IUPAC Name: trimethyl-[4-[2-oxo-2-[11-(4-phenylmethoxyphenoxy)undecoxy]ethyl]phenyl]azanium iodide Traditional Name: [4-[2-[11-(4-benzoxyphenoxy)undecoxy]-2-keto-ethyl]phenyl]-trimethyl-ammonium iodide Formula: C35H48INO4 MolecularWeight: 673.66439

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCCCCCCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCCCCCCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3.[I-]

InChI

InChI=1S/C35H48NO4.HI/c1-36(2,3)32-20-18-30(19-21-32)28-35(37)39-27-15-10-8-6-4-5-7-9-14-26-38-33-22-24-34(25-23-33)40-29-31-16-12-11-13-17-31;/h11-13,16-25H,4-10,14-15,26-29H2,1-3H3;1H/q+1;/p-1