4-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-1-pyridin-2-yl-but-2-yn-1-ol bromide

Systemtic Name: 4-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-1-pyridin-2-yl-but-2-yn-1-ol bromide Openeye Name: 4-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-1-(2-pyridyl)but-2-yn-1-ol bromide CAS Name: 4-(1-methyl-1-piperidin-1-iumyl)-1-phenyl-1-(2-pyridinyl)-2-butyn-1-ol bromide IUPAC Name: 4-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-1-pyridin-2-ylbut-2-yn-1-ol bromide Traditional Name: 4-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-1-(2-pyridyl)but-2-yn-1-ol bromide Formula: C21H25BrN2O MolecularWeight: 401.34

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CC#CC(C2=CC=CC=C2)(C3=CC=CC=N3)O.[Br-]

Isomeric SMILES

C[N+]1(CCCCC1)CC#CC(C2=CC=CC=C2)(C3=CC=CC=N3)O.[Br-]

InChI

InChI=1S/C21H25N2O.BrH/c1-23(16-8-3-9-17-23)18-10-14-21(24,19-11-4-2-5-12-19)20-13-6-7-15-22-20;/h2,4-7,11-13,15,24H,3,8-9,16-18H2,1H3;1H/q+1;/p-1