2-(5-bicyclo[2.2.1]hept-2-enyl)-5-(2-pyridin-3-ylpiperidin-1-ium-1-yl)pent-3-yn-2-olate

Systemtic Name: 2-(5-bicyclo[2.2.1]hept-2-enyl)-5-(2-pyridin-3-ylpiperidin-1-ium-1-yl)pent-3-yn-2-olate Openeye Name: 2-(5-bicyclo[2.2.1]hept-2-enyl)-5-[2-(3-pyridyl)piperidin-1-ium-1-yl]pent-3-yn-2-olate CAS Name: 2-(5-bicyclo[2.2.1]hept-2-enyl)-5-[2-(3-pyridinyl)-1-piperidin-1-iumyl]-3-pentyn-2-olate IUPAC Name: 2-(5-bicyclo[2.2.1]hept-2-enyl)-5-(2-pyridin-3-ylpiperidin-1-ium-1-yl)pent-3-yn-2-olate Traditional Name: 2-(5-bicyclo[2.2.1]hept-2-enyl)-5-[2-(3-pyridyl)piperidin-1-ium-1-yl]pent-3-yn-2-olate Formula: C22H28N2O MolecularWeight: 336.47052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC[NH+]1CCCCC1C2=CN=CC=C2)(C3CC4CC3C=C4)[O-]

Isomeric SMILES

CC(C#CC[NH+]1CCCCC1C2=CN=CC=C2)(C3CC4CC3C=C4)[O-]

InChI

InChI=1S/C22H27N2O/c1-22(25,20-15-17-8-9-18(20)14-17)10-5-13-24-12-3-2-7-21(24)19-6-4-11-23-16-19/h4,6,8-9,11,16-18,20-21H,2-3,7,12-15H2,1H3/q-1/p+1