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

Systemtic Name: 2-[3-(1-methylpyrrolidin-1-ium-1-yl)propylamino]cyclohexa-2,5-diene-1,4-dione bromide Openeye Name: 2-[3-(1-methylpyrrolidin-1-ium-1-yl)propylamino]-1,4-benzoquinone bromide CAS Name: 2-[3-(1-methyl-1-pyrrolidin-1-iumyl)propylamino]cyclohexa-2,5-diene-1,4-dione bromide IUPAC Name: 2-[3-(1-methylpyrrolidin-1-ium-1-yl)propylamino]cyclohexa-2,5-diene-1,4-dione bromide Traditional Name: 2-[3-(1-methylpyrrolidin-1-ium-1-yl)propylamino]-p-benzoquinone bromide Formula: C14H21BrN2O2 MolecularWeight: 329.23274

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CCCNC2=CC(=O)C=CC2=O.[Br-]

Isomeric SMILES

C[N+]1(CCCC1)CCCNC2=CC(=O)C=CC2=O.[Br-]

InChI

InChI=1S/C14H20N2O2.BrH/c1-16(8-2-3-9-16)10-4-7-15-13-11-12(17)5-6-14(13)18;/h5-6,11H,2-4,7-10H2,1H3;1H