[3-ethyl-6-[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]hex-4-yn-3-yl] ethanoate

Systemtic Name: [3-ethyl-6-[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]hex-4-yn-3-yl] ethanoate Openeye Name: [1,1-diethyl-4-[(2R)-2-(3-pyridyl)piperidin-1-ium-1-yl]but-2-ynyl] acetate CAS Name: acetic acid [3-ethyl-6-[(2R)-2-(3-pyridinyl)-1-piperidin-1-iumyl]hex-4-yn-3-yl] ester IUPAC Name: [3-ethyl-6-[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]hex-4-yn-3-yl] acetate Traditional Name: acetic acid [1,1-diethyl-4-[(2R)-2-(3-pyridyl)piperidin-1-ium-1-yl]but-2-ynyl] ester Formula: C20H29N2O2+ MolecularWeight: 329.45646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(CC)(C#CC[NH+]1CCCC[C@@H]1C2=CN=CC=C2)OC(=O)C

InChI

InChI=1S/C20H28N2O2/c1-4-20(5-2,24-17(3)23)12-9-15-22-14-7-6-11-19(22)18-10-8-13-21-16-18/h8,10,13,16,19H,4-7,11,14-15H2,1-3H3/p+1/t19-/m1/s1