4-[1-(3-phenylprop-2-ynyl)pyrrolidin-1-ium-1-yl]but-2-yn-1-ol bromide

Systemtic Name: 4-[1-(3-phenylprop-2-ynyl)pyrrolidin-1-ium-1-yl]but-2-yn-1-ol bromide Openeye Name: 4-[1-(3-phenylprop-2-ynyl)pyrrolidin-1-ium-1-yl]but-2-yn-1-ol bromide CAS Name: 4-[1-(3-phenylprop-2-ynyl)-1-pyrrolidin-1-iumyl]-2-butyn-1-ol bromide IUPAC Name: 4-[1-(3-phenylprop-2-ynyl)pyrrolidin-1-ium-1-yl]but-2-yn-1-ol bromide Traditional Name: 4-[1-(3-phenylprop-2-ynyl)pyrrolidin-1-ium-1-yl]but-2-yn-1-ol bromide Formula: C17H20BrNO MolecularWeight: 334.2508

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(CC#CCO)CC#CC2=CC=CC=C2.[Br-]

Isomeric SMILES

C1CC[N+](C1)(CC#CCO)CC#CC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C17H20NO.BrH/c19-16-7-6-14-18(12-4-5-13-18)15-8-11-17-9-2-1-3-10-17;/h1-3,9-10,19H,4-5,12-16H2;1H/q+1;/p-1