2-[4-(1-phenylpropan-2-yl)-4-prop-2-enyl-piperazin-4-ium-1-yl]ethanol bromide hydrobromide

Systemtic Name: 2-[4-(1-phenylpropan-2-yl)-4-prop-2-enyl-piperazin-4-ium-1-yl]ethanol bromide hydrobromide Openeye Name: 2-[4-allyl-4-(1-methyl-2-phenyl-ethyl)piperazin-4-ium-1-yl]ethanol bromide hydrobromide CAS Name: 2-[4-(1-phenylpropan-2-yl)-4-prop-2-enyl-1-piperazin-4-iumyl]ethanol bromide hydrobromide IUPAC Name: 2-[4-(1-phenylpropan-2-yl)-4-prop-2-enylpiperazin-4-ium-1-yl]ethanol bromide hydrobromide Traditional Name: 2-[4-allyl-4-(1-methyl-2-phenyl-ethyl)piperazin-4-ium-1-yl]ethanol bromide hydrobromide Formula: C18H30Br2N2O MolecularWeight: 450.2516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)[N+]2(CCN(CC2)CCO)CC=C.Br.[Br-]

Isomeric SMILES

CC(CC1=CC=CC=C1)[N+]2(CCN(CC2)CCO)CC=C.Br.[Br-]

InChI

InChI=1S/C18H29N2O.2BrH/c1-3-12-20(13-9-19(10-14-20)11-15-21)17(2)16-18-7-5-4-6-8-18;;/h3-8,17,21H,1,9-16H2,2H3;2*1H/q+1;;/p-1