(4-cyclohexyl-4-oxidanyl-4-phenyl-but-2-ynyl)-diethyl-methyl-azanium bromide

Systemtic Name: (4-cyclohexyl-4-oxidanyl-4-phenyl-but-2-ynyl)-diethyl-methyl-azanium bromide Openeye Name: (4-cyclohexyl-4-hydroxy-4-phenyl-but-2-ynyl)-diethyl-methyl-ammonium bromide CAS Name: (4-cyclohexyl-4-hydroxy-4-phenylbut-2-ynyl)-diethyl-methylammonium bromide IUPAC Name: (4-cyclohexyl-4-hydroxy-4-phenylbut-2-ynyl)-diethyl-methylazanium bromide Traditional Name: (4-cyclohexyl-4-hydroxy-4-phenyl-but-2-ynyl)-diethyl-methyl-ammonium bromide Formula: C21H32BrNO MolecularWeight: 394.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CC#CC(C1CCCCC1)(C2=CC=CC=C2)O.[Br-]

Isomeric SMILES

CC[N+](C)(CC)CC#CC(C1CCCCC1)(C2=CC=CC=C2)O.[Br-]

InChI

InChI=1S/C21H32NO.BrH/c1-4-22(3,5-2)18-12-17-21(23,19-13-8-6-9-14-19)20-15-10-7-11-16-20;/h6,8-9,13-14,20,23H,4-5,7,10-11,15-16,18H2,1-3H3;1H/q+1;/p-1