trimethyl-[4-[2-oxidanylidene-2-[7-(4-phenylmethoxyphenyl)carbonyloxyheptoxy]ethyl]phenyl]azanium iodide

Systemtic Name: trimethyl-[4-[2-oxidanylidene-2-[7-(4-phenylmethoxyphenyl)carbonyloxyheptoxy]ethyl]phenyl]azanium iodide Openeye Name: [4-[2-[7-(4-benzyloxybenzoyl)oxyheptoxy]-2-oxo-ethyl]phenyl]-trimethyl-ammonium iodide CAS Name: trimethyl-[4-[2-oxo-2-[7-[oxo-(4-phenylmethoxyphenyl)methoxy]heptoxy]ethyl]phenyl]ammonium iodide IUPAC Name: trimethyl-[4-[2-oxo-2-[7-(4-phenylmethoxybenzoyl)oxyheptoxy]ethyl]phenyl]azanium iodide Traditional Name: [4-[2-[7-(4-benzoxybenzoyl)oxyheptoxy]-2-keto-ethyl]phenyl]-trimethyl-ammonium iodide Formula: C32H40INO5 MolecularWeight: 645.56817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H40NO5.HI/c1-33(2,3)29-18-14-26(15-19-29)24-31(34)36-22-10-5-4-6-11-23-37-32(35)28-16-20-30(21-17-28)38-25-27-12-8-7-9-13-27;/h7-9,12-21H,4-6,10-11,22-25H2,1-3H3;1H/q+1;/p-1