(4-cyclopentyl-4-oxidanyl-4-phenyl-but-2-ynyl)-diethyl-azanium chloride

Systemtic Name: (4-cyclopentyl-4-oxidanyl-4-phenyl-but-2-ynyl)-diethyl-azanium chloride Openeye Name: (4-cyclopentyl-4-hydroxy-4-phenyl-but-2-ynyl)-diethyl-ammonium chloride CAS Name: (4-cyclopentyl-4-hydroxy-4-phenylbut-2-ynyl)-diethylammonium chloride IUPAC Name: (4-cyclopentyl-4-hydroxy-4-phenylbut-2-ynyl)-diethylazanium chloride Traditional Name: (4-cyclopentyl-4-hydroxy-4-phenyl-but-2-ynyl)-diethyl-ammonium chloride Formula: C19H28ClNO MolecularWeight: 321.88472

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC#CC(C1CCCC1)(C2=CC=CC=C2)O.[Cl-]

Isomeric SMILES

CC[NH+](CC)CC#CC(C1CCCC1)(C2=CC=CC=C2)O.[Cl-]

InChI

InChI=1S/C19H27NO.ClH/c1-3-20(4-2)16-10-15-19(21,18-13-8-9-14-18)17-11-6-5-7-12-17;/h5-7,11-12,18,21H,3-4,8-9,13-14,16H2,1-2H3;1H