[5-[(2-cyclohexyl-2-phenyl-ethanoyl)oxymethyl]furan-2-yl]methyl-trimethyl-azanium iodide

Systemtic Name: [5-[(2-cyclohexyl-2-phenyl-ethanoyl)oxymethyl]furan-2-yl]methyl-trimethyl-azanium iodide Openeye Name: [5-[(2-cyclohexyl-2-phenyl-acetyl)oxymethyl]-2-furyl]methyl-trimethyl-ammonium iodide CAS Name: [5-[(2-cyclohexyl-1-oxo-2-phenylethoxy)methyl]-2-furanyl]methyl-trimethylammonium iodide IUPAC Name: [5-[(2-cyclohexyl-2-phenylacetyl)oxymethyl]furan-2-yl]methyl-trimethylazanium iodide Traditional Name: [5-[(2-cyclohexyl-2-phenyl-acetyl)oxymethyl]-2-furyl]methyl-trimethyl-ammonium iodide Formula: C23H32INO3 MolecularWeight: 497.40955

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC1=CC=C(O1)COC(=O)C(C2CCCCC2)C3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+](C)(C)CC1=CC=C(O1)COC(=O)C(C2CCCCC2)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C23H32NO3.HI/c1-24(2,3)16-20-14-15-21(27-20)17-26-23(25)22(18-10-6-4-7-11-18)19-12-8-5-9-13-19;/h4,6-7,10-11,14-15,19,22H,5,8-9,12-13,16-17H2,1-3H3;1H/q+1;/p-1