(3-ethyl-6-pyrrolidin-1-ium-1-yl-hex-4-yn-3-yl) ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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