(2-methyl-5-piperidin-1-ium-1-yl-pent-3-yn-2-yl) ethanoate

Systemtic Name: (2-methyl-5-piperidin-1-ium-1-yl-pent-3-yn-2-yl) ethanoate Openeye Name: (1,1-dimethyl-4-piperidin-1-ium-1-yl-but-2-ynyl) acetate CAS Name: acetic acid [2-methyl-5-(1-piperidin-1-iumyl)pent-3-yn-2-yl] ester IUPAC Name: (2-methyl-5-piperidin-1-ium-1-ylpent-3-yn-2-yl) acetate Traditional Name: acetic acid (1,1-dimethyl-4-piperidin-1-ium-1-yl-but-2-ynyl) ester Formula: C13H22NO2+ MolecularWeight: 224.31928

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C)(C)C#CC[NH+]1CCCCC1

Isomeric SMILES

CC(=O)OC(C)(C)C#CC[NH+]1CCCCC1

InChI

InChI=1S/C13H21NO2/c1-12(15)16-13(2,3)8-7-11-14-9-5-4-6-10-14/h4-6,9-11H2,1-3H3/p+1