[(3S)-6-pyrrolidin-1-ium-1-ylhex-4-yn-3-yl] ethanoate

Systemtic Name: [(3S)-6-pyrrolidin-1-ium-1-ylhex-4-yn-3-yl] ethanoate Openeye Name: [(1S)-1-ethyl-4-pyrrolidin-1-ium-1-yl-but-2-ynyl] acetate CAS Name: acetic acid [(3S)-6-(1-pyrrolidin-1-iumyl)hex-4-yn-3-yl] ester IUPAC Name: [(3S)-6-pyrrolidin-1-ium-1-ylhex-4-yn-3-yl] acetate Traditional Name: acetic acid [(1S)-1-ethyl-4-pyrrolidin-1-ium-1-yl-but-2-ynyl] ester Formula: C12H20NO2+ MolecularWeight: 210.2927

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO2/c1-3-12(15-11(2)14)7-6-10-13-8-4-5-9-13/h12H,3-5,8-10H2,1-2H3/p+1/t12-/m0/s1