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

Systemtic Name: 2,5-bis[5-(1-methylpiperidin-1-ium-1-yl)pentylamino]cyclohexa-2,5-diene-1,4-dione bromide Openeye Name: 2,5-bis[5-(1-methylpiperidin-1-ium-1-yl)pentylamino]-1,4-benzoquinone bromide CAS Name: 2,5-bis[5-(1-methyl-1-piperidin-1-iumyl)pentylamino]cyclohexa-2,5-diene-1,4-dione bromide IUPAC Name: 2,5-bis[5-(1-methylpiperidin-1-ium-1-yl)pentylamino]cyclohexa-2,5-diene-1,4-dione bromide Traditional Name: 2,5-bis[5-(1-methylpiperidin-1-ium-1-yl)pentylamino]-p-benzoquinone bromide Formula: C28H50BrN4O2+ MolecularWeight: 554.6262

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCCCCNC2=CC(=O)C(=CC2=O)NCCCCC[N+]3(CCCCC3)C.[Br-]

Isomeric SMILES

C[N+]1(CCCCC1)CCCCCNC2=CC(=O)C(=CC2=O)NCCCCC[N+]3(CCCCC3)C.[Br-]

InChI

InChI=1S/C28H48N4O2.BrH/c1-31(19-11-5-12-20-31)17-9-3-7-15-29-25-23-28(34)26(24-27(25)33)30-16-8-4-10-18-32(2)21-13-6-14-22-32;/h23-24H,3-22H2,1-2H3;1H/p+1