trimethyl-[3-(4-phenethylpiperidin-1-ium-1-yl)propyl]azanium dibromide

Systemtic Name: trimethyl-[3-(4-phenethylpiperidin-1-ium-1-yl)propyl]azanium dibromide Openeye Name: trimethyl-[3-(4-phenethylpiperidin-1-ium-1-yl)propyl]ammonium dibromide CAS Name: trimethyl-[3-(4-phenethyl-1-piperidin-1-iumyl)propyl]ammonium dibromide IUPAC Name: trimethyl-[3-(4-phenethylpiperidin-1-ium-1-yl)propyl]azanium dibromide Traditional Name: trimethyl-[3-(4-phenethylpiperidin-1-ium-1-yl)propyl]ammonium dibromide Formula: C19H34Br2N2 MolecularWeight: 450.29466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCC[NH+]1CCC(CC1)CCC2=CC=CC=C2.[Br-].[Br-]

Isomeric SMILES

C[N+](C)(C)CCC[NH+]1CCC(CC1)CCC2=CC=CC=C2.[Br-].[Br-]

InChI

InChI=1S/C19H33N2.2BrH/c1-21(2,3)17-7-14-20-15-12-19(13-16-20)11-10-18-8-5-4-6-9-18;;/h4-6,8-9,19H,7,10-17H2,1-3H3;2*1H/q+1;;/p-1