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

Systemtic Name: diethyl-methyl-(4-oxidanyl-4-phenyl-4-pyridin-2-yl-but-2-ynyl)azanium bromide Openeye Name: diethyl-[4-hydroxy-4-phenyl-4-(2-pyridyl)but-2-ynyl]-methyl-ammonium bromide CAS Name: diethyl-[4-hydroxy-4-phenyl-4-(2-pyridinyl)but-2-ynyl]-methylammonium bromide IUPAC Name: diethyl-(4-hydroxy-4-phenyl-4-pyridin-2-ylbut-2-ynyl)-methylazanium bromide Traditional Name: diethyl-[4-hydroxy-4-phenyl-4-(2-pyridyl)but-2-ynyl]-methyl-ammonium bromide Formula: C20H25BrN2O MolecularWeight: 389.3293

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CC#CC(C1=CC=CC=C1)(C2=CC=CC=N2)O.[Br-]

Isomeric SMILES

CC[N+](C)(CC)CC#CC(C1=CC=CC=C1)(C2=CC=CC=N2)O.[Br-]

InChI

InChI=1S/C20H25N2O.BrH/c1-4-22(3,5-2)17-11-15-20(23,18-12-7-6-8-13-18)19-14-9-10-16-21-19;/h6-10,12-14,16,23H,4-5,17H2,1-3H3;1H/q+1;/p-1