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

Systemtic Name: trimethyl-(4-oxidanyl-4-phenyl-4-pyridin-2-yl-but-2-ynyl)azanium bromide Openeye Name: [4-hydroxy-4-phenyl-4-(2-pyridyl)but-2-ynyl]-trimethyl-ammonium bromide CAS Name: [4-hydroxy-4-phenyl-4-(2-pyridinyl)but-2-ynyl]-trimethylammonium bromide IUPAC Name: (4-hydroxy-4-phenyl-4-pyridin-2-ylbut-2-ynyl)-trimethylazanium bromide Traditional Name: [4-hydroxy-4-phenyl-4-(2-pyridyl)but-2-ynyl]-trimethyl-ammonium bromide Formula: C18H21BrN2O MolecularWeight: 361.27614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N2O.BrH/c1-20(2,3)15-9-13-18(21,16-10-5-4-6-11-16)17-12-7-8-14-19-17;/h4-8,10-12,14,21H,15H2,1-3H3;1H/q+1;/p-1