4-methyl-1-(2-pyridin-3-ylpiperidin-1-ium-1-yl)hept-2-yn-4-olate

Systemtic Name: 4-methyl-1-(2-pyridin-3-ylpiperidin-1-ium-1-yl)hept-2-yn-4-olate Openeye Name: 4-methyl-1-[2-(3-pyridyl)piperidin-1-ium-1-yl]hept-2-yn-4-olate CAS Name: 4-methyl-1-[2-(3-pyridinyl)-1-piperidin-1-iumyl]-2-heptyn-4-olate IUPAC Name: 4-methyl-1-(2-pyridin-3-ylpiperidin-1-ium-1-yl)hept-2-yn-4-olate Traditional Name: 4-methyl-1-[2-(3-pyridyl)piperidin-1-ium-1-yl]hept-2-yn-4-olate Formula: C18H26N2O MolecularWeight: 286.41184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N2O/c1-3-10-18(2,21)11-7-14-20-13-5-4-9-17(20)16-8-6-12-19-15-16/h6,8,12,15,17H,3-5,9-10,13-14H2,1-2H3/q-1/p+1