(6,6-dimethyl-5-oxidanyl-5-phenyl-hept-2-ynyl)-di(propan-2-yl)azanium chloride

Systemtic Name: (6,6-dimethyl-5-oxidanyl-5-phenyl-hept-2-ynyl)-di(propan-2-yl)azanium chloride Openeye Name: (5-hydroxy-6,6-dimethyl-5-phenyl-hept-2-ynyl)-diisopropyl-ammonium chloride CAS Name: (5-hydroxy-6,6-dimethyl-5-phenylhept-2-ynyl)-di(propan-2-yl)ammonium chloride IUPAC Name: (5-hydroxy-6,6-dimethyl-5-phenylhept-2-ynyl)-di(propan-2-yl)azanium chloride Traditional Name: (5-hydroxy-6,6-dimethyl-5-phenyl-hept-2-ynyl)-diisopropyl-ammonium chloride Formula: C21H34ClNO MolecularWeight: 351.95376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO.ClH/c1-17(2)22(18(3)4)16-12-11-15-21(23,20(5,6)7)19-13-9-8-10-14-19;/h8-10,13-14,17-18,23H,15-16H2,1-7H3;1H