1-(3-phenylprop-2-ynyl)-1-prop-2-ynyl-pyrrolidin-1-ium bromide

Systemtic Name: 1-(3-phenylprop-2-ynyl)-1-prop-2-ynyl-pyrrolidin-1-ium bromide Openeye Name: 1-(3-phenylprop-2-ynyl)-1-prop-2-ynyl-pyrrolidin-1-ium bromide CAS Name: 1-(3-phenylprop-2-ynyl)-1-prop-2-ynylpyrrolidin-1-ium bromide IUPAC Name: 1-(3-phenylprop-2-ynyl)-1-prop-2-ynylpyrrolidin-1-ium bromide Traditional Name: 1-(3-phenylprop-2-ynyl)-1-propargyl-pyrrolidin-1-ium bromide Formula: C16H18BrN MolecularWeight: 304.22482

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Descriptors Computed from Structure

Canonical SMILES:

C#CC[N+]1(CCCC1)CC#CC2=CC=CC=C2.[Br-]

Isomeric SMILES

C#CC[N+]1(CCCC1)CC#CC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C16H18N.BrH/c1-2-12-17(13-6-7-14-17)15-8-11-16-9-4-3-5-10-16;/h1,3-5,9-10H,6-7,12-15H2;1H/q+1;/p-1