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

Systemtic Name: 4-(2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl)oxybut-2-ynyl-diethyl-azanium chloride Openeye Name: 4-(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)oxybut-2-ynyl-diethyl-ammonium chloride CAS Name: 4-(2-cyclohexyl-2-hydroxy-1-oxo-2-phenylethoxy)but-2-ynyl-diethylammonium chloride IUPAC Name: 4-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxybut-2-ynyl-diethylazanium chloride Traditional Name: 4-(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)oxybut-2-ynyl-diethyl-ammonium chloride Formula: C22H32ClNO3 MolecularWeight: 393.94738

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.[Cl-]

Isomeric SMILES

CC[NH+](CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.[Cl-]

InChI

InChI=1S/C22H31NO3.ClH/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20;/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3;1H