dimethyl-(2-methyl-6-oxidanyl-6,6-diphenyl-hex-4-yn-3-yl)azanium chloride

Systemtic Name: dimethyl-(2-methyl-6-oxidanyl-6,6-diphenyl-hex-4-yn-3-yl)azanium chloride Openeye Name: (4-hydroxy-1-isopropyl-4,4-diphenyl-but-2-ynyl)-dimethyl-ammonium chloride CAS Name: (6-hydroxy-2-methyl-6,6-diphenylhex-4-yn-3-yl)-dimethylammonium chloride IUPAC Name: (6-hydroxy-2-methyl-6,6-diphenylhex-4-yn-3-yl)-dimethylazanium chloride Traditional Name: (4-hydroxy-1-isopropyl-4,4-diphenyl-but-2-ynyl)-dimethyl-ammonium chloride Formula: C21H26ClNO MolecularWeight: 343.89024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#CC(C1=CC=CC=C1)(C2=CC=CC=C2)O)[NH+](C)C.[Cl-]

Isomeric SMILES

CC(C)C(C#CC(C1=CC=CC=C1)(C2=CC=CC=C2)O)[NH+](C)C.[Cl-]

InChI

InChI=1S/C21H25NO.ClH/c1-17(2)20(22(3)4)15-16-21(23,18-11-7-5-8-12-18)19-13-9-6-10-14-19;/h5-14,17,20,23H,1-4H3;1H