4-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]but-2-ynyl ethanoate

Systemtic Name: 4-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]but-2-ynyl ethanoate Openeye Name: 4-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]but-2-ynyl acetate CAS Name: acetic acid 4-[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]but-2-ynyl ester IUPAC Name: 4-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]but-2-ynyl acetate Traditional Name: acetic acid 4-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]but-2-ynyl ester Formula: C16H21N2O2+ MolecularWeight: 273.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC#CC[NH+]1CCCCC1C2=CN=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O2/c1-14(19)20-12-5-4-11-18-10-3-2-8-16(18)15-7-6-9-17-13-15/h6-7,9,13,16H,2-3,8,10-12H2,1H3/p+1/t16-/m0/s1