(5-cyclohexyl-5-oxidanyl-5-phenyl-pent-2-ynyl)-diethyl-azanium chloride

Systemtic Name: (5-cyclohexyl-5-oxidanyl-5-phenyl-pent-2-ynyl)-diethyl-azanium chloride Openeye Name: (5-cyclohexyl-5-hydroxy-5-phenyl-pent-2-ynyl)-diethyl-ammonium chloride CAS Name: (5-cyclohexyl-5-hydroxy-5-phenylpent-2-ynyl)-diethylammonium chloride IUPAC Name: (5-cyclohexyl-5-hydroxy-5-phenylpent-2-ynyl)-diethylazanium chloride Traditional Name: (5-cyclohexyl-5-hydroxy-5-phenyl-pent-2-ynyl)-diethyl-ammonium chloride Formula: C21H32ClNO MolecularWeight: 349.93788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO.ClH/c1-3-22(4-2)18-12-11-17-21(23,19-13-7-5-8-14-19)20-15-9-6-10-16-20;/h5,7-8,13-14,20,23H,3-4,6,9-10,15-18H2,1-2H3;1H