[(3R)-3-methyl-6-piperidin-1-ium-1-yl-hex-4-yn-3-yl] ethanoate

Systemtic Name: [(3R)-3-methyl-6-piperidin-1-ium-1-yl-hex-4-yn-3-yl] ethanoate Openeye Name: [(1R)-1-ethyl-1-methyl-4-piperidin-1-ium-1-yl-but-2-ynyl] acetate CAS Name: acetic acid [(3R)-3-methyl-6-(1-piperidin-1-iumyl)hex-4-yn-3-yl] ester IUPAC Name: [(3R)-3-methyl-6-piperidin-1-ium-1-ylhex-4-yn-3-yl] acetate Traditional Name: acetic acid [(1R)-1-ethyl-1-methyl-4-piperidin-1-ium-1-yl-but-2-ynyl] ester Formula: C14H24NO2+ MolecularWeight: 238.34586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23NO2/c1-4-14(3,17-13(2)16)9-8-12-15-10-6-5-7-11-15/h4-7,10-12H2,1-3H3/p+1/t14-/m1/s1