[(3R)-2,3-dimethyl-6-pyrrolidin-1-ium-1-yl-hex-1-en-4-yn-3-yl] ethanoate

Systemtic Name: [(3R)-2,3-dimethyl-6-pyrrolidin-1-ium-1-yl-hex-1-en-4-yn-3-yl] ethanoate Openeye Name: [(1R)-1-isopropenyl-1-methyl-4-pyrrolidin-1-ium-1-yl-but-2-ynyl] acetate CAS Name: acetic acid [(3R)-2,3-dimethyl-6-(1-pyrrolidin-1-iumyl)hex-1-en-4-yn-3-yl] ester IUPAC Name: [(3R)-2,3-dimethyl-6-pyrrolidin-1-ium-1-ylhex-1-en-4-yn-3-yl] acetate Traditional Name: acetic acid [(1R)-1-isopropenyl-1-methyl-4-pyrrolidin-1-ium-1-yl-but-2-ynyl] ester Formula: C14H22NO2+ MolecularWeight: 236.32998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO2/c1-12(2)14(4,17-13(3)16)8-7-11-15-9-5-6-10-15/h1,5-6,9-11H2,2-4H3/p+1/t14-/m0/s1