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

Systemtic Name: 1-(3-phenylprop-2-ynyl)-1-prop-2-enyl-piperidin-1-ium bromide Openeye Name: 1-allyl-1-(3-phenylprop-2-ynyl)piperidin-1-ium bromide CAS Name: 1-(3-phenylprop-2-ynyl)-1-prop-2-enylpiperidin-1-ium bromide IUPAC Name: 1-(3-phenylprop-2-ynyl)-1-prop-2-enylpiperidin-1-ium bromide Traditional Name: 1-allyl-1-(3-phenylprop-2-ynyl)piperidin-1-ium bromide Formula: C17H22BrN MolecularWeight: 320.26728

Click to see the large picture

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/C17H22N.BrH/c1-2-13-18(14-7-4-8-15-18)16-9-12-17-10-5-3-6-11-17;/h2-3,5-6,10-11H,1,4,7-8,13-16H2;1H/q+1;/p-1