[(3S)-2,2,3-trimethyl-6-pyrrolidin-1-ium-1-yl-hex-4-yn-3-yl] ethanoate

Systemtic Name: [(3S)-2,2,3-trimethyl-6-pyrrolidin-1-ium-1-yl-hex-4-yn-3-yl] ethanoate Openeye Name: [(1S)-1-tert-butyl-1-methyl-4-pyrrolidin-1-ium-1-yl-but-2-ynyl] acetate CAS Name: acetic acid [(3S)-2,2,3-trimethyl-6-(1-pyrrolidin-1-iumyl)hex-4-yn-3-yl] ester IUPAC Name: [(3S)-2,2,3-trimethyl-6-pyrrolidin-1-ium-1-ylhex-4-yn-3-yl] acetate Traditional Name: acetic acid [(1S)-1-tert-butyl-1-methyl-4-pyrrolidin-1-ium-1-yl-but-2-ynyl] ester Formula: C15H26NO2+ MolecularWeight: 252.37244

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C)(C#CC[NH+]1CCCC1)C(C)(C)C

Isomeric SMILES

CC(=O)O[C@](C)(C#CC[NH+]1CCCC1)C(C)(C)C

InChI

InChI=1S/C15H25NO2/c1-13(17)18-15(5,14(2,3)4)9-8-12-16-10-6-7-11-16/h6-7,10-12H2,1-5H3/p+1/t15-/m1/s1