4-(3-isoquinolin-2-ium-2-ylpropyl)-4-methyl-morpholin-4-ium dibromide

Systemtic Name: 4-(3-isoquinolin-2-ium-2-ylpropyl)-4-methyl-morpholin-4-ium dibromide Openeye Name: 4-(3-isoquinolin-2-ium-2-ylpropyl)-4-methyl-morpholin-4-ium dibromide CAS Name: 4-[3-(2-isoquinolin-2-iumyl)propyl]-4-methylmorpholin-4-ium dibromide IUPAC Name: 4-(3-isoquinolin-2-ium-2-ylpropyl)-4-methylmorpholin-4-ium dibromide Traditional Name: 4-(3-isoquinolin-2-ium-2-ylpropyl)-4-methyl-morpholin-4-ium dibromide Formula: C17H24Br2N2O MolecularWeight: 432.19326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CCC[N+]2=CC3=CC=CC=C3C=C2.[Br-].[Br-]

Isomeric SMILES

C[N+]1(CCOCC1)CCC[N+]2=CC3=CC=CC=C3C=C2.[Br-].[Br-]

InChI

InChI=1S/C17H24N2O.2BrH/c1-19(11-13-20-14-12-19)10-4-8-18-9-7-16-5-2-3-6-17(16)15-18;;/h2-3,5-7,9,15H,4,8,10-14H2,1H3;2*1H/q+2;;/p-2