[2-methyl-5-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]pent-3-yn-2-yl] ethanoate

Systemtic Name: [2-methyl-5-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]pent-3-yn-2-yl] ethanoate Openeye Name: [1,1-dimethyl-4-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]but-2-ynyl] acetate CAS Name: acetic acid [2-methyl-5-[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]pent-3-yn-2-yl] ester IUPAC Name: [2-methyl-5-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]pent-3-yn-2-yl] acetate Traditional Name: acetic acid [1,1-dimethyl-4-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]but-2-ynyl] ester Formula: C18H25N2O2+ MolecularWeight: 301.4033

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O2/c1-15(21)22-18(2,3)10-7-13-20-12-5-4-9-17(20)16-8-6-11-19-14-16/h6,8,11,14,17H,4-5,9,12-13H2,1-3H3/p+1/t17-/m0/s1