4-(2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl)oxybut-2-ynyl-diethyl-methyl-azanium iodide

Systemtic Name: 4-(2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl)oxybut-2-ynyl-diethyl-methyl-azanium iodide Openeye Name: 4-(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)oxybut-2-ynyl-diethyl-methyl-ammonium iodide CAS Name: 4-(2-cyclohexyl-2-hydroxy-1-oxo-2-phenylethoxy)but-2-ynyl-diethyl-methylammonium iodide IUPAC Name: 4-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxybut-2-ynyl-diethyl-methylazanium iodide Traditional Name: 4-(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)oxybut-2-ynyl-diethyl-methyl-ammonium iodide Formula: C23H34INO3 MolecularWeight: 499.42543

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.[I-]

Isomeric SMILES

CC[N+](C)(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.[I-]

InChI

InChI=1S/C23H34NO3.HI/c1-4-24(3,5-2)18-12-13-19-27-22(25)23(26,20-14-8-6-9-15-20)21-16-10-7-11-17-21;/h6,8-9,14-15,21,26H,4-5,7,10-11,16-19H2,1-3H3;1H/q+1;/p-1