8-methoxy-4,8-dimethyl-1-(2-pyridin-3-ylpiperidin-1-ium-1-yl)non-2-yn-4-olate

Systemtic Name: 8-methoxy-4,8-dimethyl-1-(2-pyridin-3-ylpiperidin-1-ium-1-yl)non-2-yn-4-olate Openeye Name: 8-methoxy-4,8-dimethyl-1-[2-(3-pyridyl)piperidin-1-ium-1-yl]non-2-yn-4-olate CAS Name: 8-methoxy-4,8-dimethyl-1-[2-(3-pyridinyl)-1-piperidin-1-iumyl]-2-nonyn-4-olate IUPAC Name: 8-methoxy-4,8-dimethyl-1-(2-pyridin-3-ylpiperidin-1-ium-1-yl)non-2-yn-4-olate Traditional Name: 8-methoxy-4,8-dimethyl-1-[2-(3-pyridyl)piperidin-1-ium-1-yl]non-2-yn-4-olate Formula: C22H34N2O2 MolecularWeight: 358.51756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N2O2/c1-21(2,26-4)12-8-13-22(3,25)14-9-17-24-16-6-5-11-20(24)19-10-7-15-23-18-19/h7,10,15,18,20H,5-6,8,11-13,16-17H2,1-4H3/q-1/p+1