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

Systemtic Name: trimethyl-(4-oxidanyl-4-phenyl-4-pyridin-2-yl-but-2-ynyl)azanium Openeye Name: [4-hydroxy-4-phenyl-4-(2-pyridyl)but-2-ynyl]-trimethyl-ammonium CAS Name: [4-hydroxy-4-phenyl-4-(2-pyridinyl)but-2-ynyl]-trimethylammonium IUPAC Name: (4-hydroxy-4-phenyl-4-pyridin-2-ylbut-2-ynyl)-trimethylazanium Traditional Name: [4-hydroxy-4-phenyl-4-(2-pyridyl)but-2-ynyl]-trimethyl-ammonium Formula: C18H21N2O+ MolecularWeight: 281.37214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N2O/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/q+1