2,5-bis[3-(1-methylpiperidin-1-ium-1-yl)propylamino]cyclohexa-2,5-diene-1,4-dione bromide

Systemtic Name: 2,5-bis[3-(1-methylpiperidin-1-ium-1-yl)propylamino]cyclohexa-2,5-diene-1,4-dione bromide Openeye Name: 2,5-bis[3-(1-methylpiperidin-1-ium-1-yl)propylamino]-1,4-benzoquinone bromide CAS Name: 2,5-bis[3-(1-methyl-1-piperidin-1-iumyl)propylamino]cyclohexa-2,5-diene-1,4-dione bromide IUPAC Name: 2,5-bis[3-(1-methylpiperidin-1-ium-1-yl)propylamino]cyclohexa-2,5-diene-1,4-dione bromide Traditional Name: 2,5-bis[3-(1-methylpiperidin-1-ium-1-yl)propylamino]-p-benzoquinone bromide Formula: C24H42BrN4O2+ MolecularWeight: 498.51988

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCCNC2=CC(=O)C(=CC2=O)NCCC[N+]3(CCCCC3)C.[Br-]

Isomeric SMILES

C[N+]1(CCCCC1)CCCNC2=CC(=O)C(=CC2=O)NCCC[N+]3(CCCCC3)C.[Br-]

InChI

InChI=1S/C24H40N4O2.BrH/c1-27(13-5-3-6-14-27)17-9-11-25-21-19-24(30)22(20-23(21)29)26-12-10-18-28(2)15-7-4-8-16-28;/h19-20H,3-18H2,1-2H3;1H/p+1