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

Systemtic Name: trimethyl-[4-[2-oxidanylidene-2-[8-(4-phenylmethoxyphenoxy)octoxy]ethyl]phenyl]azanium iodide Openeye Name: [4-[2-[8-(4-benzyloxyphenoxy)octoxy]-2-oxo-ethyl]phenyl]-trimethyl-ammonium iodide CAS Name: trimethyl-[4-[2-oxo-2-[8-(4-phenylmethoxyphenoxy)octoxy]ethyl]phenyl]ammonium iodide IUPAC Name: trimethyl-[4-[2-oxo-2-[8-(4-phenylmethoxyphenoxy)octoxy]ethyl]phenyl]azanium iodide Traditional Name: [4-[2-[8-(4-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=C(C=C2)OCC3=CC=CC=C3.[I-]

Isomeric SMILES

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

InChI

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