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

Systemtic Name: 1-(3-phenylprop-2-ynyl)-1-prop-2-ynyl-piperidin-1-ium bromide Openeye Name: 1-(3-phenylprop-2-ynyl)-1-prop-2-ynyl-piperidin-1-ium bromide CAS Name: 1-(3-phenylprop-2-ynyl)-1-prop-2-ynylpiperidin-1-ium bromide IUPAC Name: 1-(3-phenylprop-2-ynyl)-1-prop-2-ynylpiperidin-1-ium bromide Traditional Name: 1-(3-phenylprop-2-ynyl)-1-propargyl-piperidin-1-ium bromide Formula: C17H20BrN MolecularWeight: 318.2514

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Descriptors Computed from Structure

Canonical SMILES:

C#CC[N+]1(CCCCC1)CC#CC2=CC=CC=C2.[Br-]

Isomeric SMILES

C#CC[N+]1(CCCCC1)CC#CC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C17H20N.BrH/c1-2-13-18(14-7-4-8-15-18)16-9-12-17-10-5-3-6-11-17;/h1,3,5-6,10-11H,4,7-8,13-16H2;1H/q+1;/p-1