[(4R)-4-methyl-1-pyrrolidin-1-ium-1-yl-oct-7-en-2-yn-4-yl] ethanoate

Systemtic Name: [(4R)-4-methyl-1-pyrrolidin-1-ium-1-yl-oct-7-en-2-yn-4-yl] ethanoate Openeye Name: [(1R)-1-methyl-1-(3-pyrrolidin-1-ium-1-ylprop-1-ynyl)pent-4-enyl] acetate CAS Name: acetic acid [(4R)-4-methyl-1-(1-pyrrolidin-1-iumyl)oct-7-en-2-yn-4-yl] ester IUPAC Name: [(4R)-4-methyl-1-pyrrolidin-1-ium-1-yloct-7-en-2-yn-4-yl] acetate Traditional Name: acetic acid [(1R)-1-methyl-1-(3-pyrrolidin-1-ium-1-ylprop-1-ynyl)pent-4-enyl] ester Formula: C15H24NO2+ MolecularWeight: 250.35656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO2/c1-4-5-9-15(3,18-14(2)17)10-8-13-16-11-6-7-12-16/h4H,1,5-7,9,11-13H2,2-3H3/p+1/t15-/m1/s1