2,5-bis[2-(4-methylmorpholin-4-ium-4-yl)ethylamino]cyclohexa-2,5-diene-1,4-dione bromide

Systemtic Name: 2,5-bis[2-(4-methylmorpholin-4-ium-4-yl)ethylamino]cyclohexa-2,5-diene-1,4-dione bromide Openeye Name: 2,5-bis[2-(4-methylmorpholin-4-ium-4-yl)ethylamino]-1,4-benzoquinone bromide CAS Name: 2,5-bis[2-(4-methyl-4-morpholin-4-iumyl)ethylamino]cyclohexa-2,5-diene-1,4-dione bromide IUPAC Name: 2,5-bis[2-(4-methylmorpholin-4-ium-4-yl)ethylamino]cyclohexa-2,5-diene-1,4-dione bromide Traditional Name: 2,5-bis[2-(4-methylmorpholin-4-ium-4-yl)ethylamino]-p-benzoquinone bromide Formula: C20H34BrN4O4+ MolecularWeight: 474.41236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CCNC2=CC(=O)C(=CC2=O)NCC[N+]3(CCOCC3)C.[Br-]

Isomeric SMILES

C[N+]1(CCOCC1)CCNC2=CC(=O)C(=CC2=O)NCC[N+]3(CCOCC3)C.[Br-]

InChI

InChI=1S/C20H32N4O4.BrH/c1-23(7-11-27-12-8-23)5-3-21-17-15-20(26)18(16-19(17)25)22-4-6-24(2)9-13-28-14-10-24;/h15-16H,3-14H2,1-2H3;1H/p+1