[2-[(4-hexoxy-3,5-dimethoxy-phenyl)carbonyloxymethyl]phenyl]methyl-trimethyl-azanium iodide

Systemtic Name: [2-[(4-hexoxy-3,5-dimethoxy-phenyl)carbonyloxymethyl]phenyl]methyl-trimethyl-azanium iodide Openeye Name: [2-[(4-hexoxy-3,5-dimethoxy-benzoyl)oxymethyl]phenyl]methyl-trimethyl-ammonium iodide CAS Name: [2-[[(4-hexoxy-3,5-dimethoxyphenyl)-oxomethoxy]methyl]phenyl]methyl-trimethylammonium iodide IUPAC Name: [2-[(4-hexoxy-3,5-dimethoxybenzoyl)oxymethyl]phenyl]methyl-trimethylazanium iodide Traditional Name: [2-[(4-hexoxy-3,5-dimethoxy-benzoyl)oxymethyl]benzyl]-trimethyl-ammonium iodide Formula: C26H38INO5 MolecularWeight: 571.48809

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1OC)C(=O)OCC2=CC=CC=C2C[N+](C)(C)C)OC.[I-]

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1OC)C(=O)OCC2=CC=CC=C2C[N+](C)(C)C)OC.[I-]

InChI

InChI=1S/C26H38NO5.HI/c1-7-8-9-12-15-31-25-23(29-5)16-22(17-24(25)30-6)26(28)32-19-21-14-11-10-13-20(21)18-27(2,3)4;/h10-11,13-14,16-17H,7-9,12,15,18-19H2,1-6H3;1H/q+1;/p-1