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

Systemtic Name: trimethyl-[4-[2-oxidanylidene-2-[4-(4-phenylmethoxyphenoxy)butoxy]ethyl]phenyl]azanium iodide Openeye Name: [4-[2-[4-(4-benzyloxyphenoxy)butoxy]-2-oxo-ethyl]phenyl]-trimethyl-ammonium iodide CAS Name: trimethyl-[4-[2-oxo-2-[4-(4-phenylmethoxyphenoxy)butoxy]ethyl]phenyl]ammonium iodide IUPAC Name: trimethyl-[4-[2-oxo-2-[4-(4-phenylmethoxyphenoxy)butoxy]ethyl]phenyl]azanium iodide Traditional Name: [4-[2-[4-(4-benzoxyphenoxy)butoxy]-2-keto-ethyl]phenyl]-trimethyl-ammonium iodide Formula: C28H34INO4 MolecularWeight: 575.47833

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)CC(=O)OCCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3.[I-]

InChI

InChI=1S/C28H34NO4.HI/c1-29(2,3)25-13-11-23(12-14-25)21-28(30)32-20-8-7-19-31-26-15-17-27(18-16-26)33-22-24-9-5-4-6-10-24;/h4-6,9-18H,7-8,19-22H2,1-3H3;1H/q+1;/p-1