1-phenyl-4-(2-pyridin-3-ylpiperidin-1-ium-1-yl)but-2-yn-1-olate

Systemtic Name: 1-phenyl-4-(2-pyridin-3-ylpiperidin-1-ium-1-yl)but-2-yn-1-olate Openeye Name: 1-phenyl-4-[2-(3-pyridyl)piperidin-1-ium-1-yl]but-2-yn-1-olate CAS Name: 1-phenyl-4-[2-(3-pyridinyl)-1-piperidin-1-iumyl]-2-butyn-1-olate IUPAC Name: 1-phenyl-4-(2-pyridin-3-ylpiperidin-1-ium-1-yl)but-2-yn-1-olate Traditional Name: 1-phenyl-4-[2-(3-pyridyl)piperidin-1-ium-1-yl]but-2-yn-1-olate Formula: C20H22N2O MolecularWeight: 306.40148

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=CN=CC=C2)CC#CC(C3=CC=CC=C3)[O-]

Isomeric SMILES

C1CC[NH+](C(C1)C2=CN=CC=C2)CC#CC(C3=CC=CC=C3)[O-]

InChI

InChI=1S/C20H21N2O/c23-20(17-8-2-1-3-9-17)12-7-15-22-14-5-4-11-19(22)18-10-6-13-21-16-18/h1-3,6,8-10,13,16,19-20H,4-5,11,14-15H2/q-1/p+1