[(1S)-1-phenyl-4-pyrrolidin-1-ium-1-yl-but-2-ynyl] ethanoate

Systemtic Name: [(1S)-1-phenyl-4-pyrrolidin-1-ium-1-yl-but-2-ynyl] ethanoate Openeye Name: [(1S)-1-phenyl-4-pyrrolidin-1-ium-1-yl-but-2-ynyl] acetate CAS Name: acetic acid [(1S)-1-phenyl-4-(1-pyrrolidin-1-iumyl)but-2-ynyl] ester IUPAC Name: [(1S)-1-phenyl-4-pyrrolidin-1-ium-1-ylbut-2-ynyl] acetate Traditional Name: acetic acid [(1S)-1-phenyl-4-pyrrolidin-1-ium-1-yl-but-2-ynyl] ester Formula: C16H20NO2+ MolecularWeight: 258.3355

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C#CC[NH+]1CCCC1)C2=CC=CC=C2

Isomeric SMILES

CC(=O)O[C@H](C#CC[NH+]1CCCC1)C2=CC=CC=C2

InChI

InChI=1S/C16H19NO2/c1-14(18)19-16(15-8-3-2-4-9-15)10-7-13-17-11-5-6-12-17/h2-4,8-9,16H,5-6,11-13H2,1H3/p+1/t16-/m1/s1