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

Systemtic Name: 2-[3-(1-methylpiperidin-1-ium-1-yl)propylamino]cyclohexa-2,5-diene-1,4-dione bromide Openeye Name: 2-[3-(1-methylpiperidin-1-ium-1-yl)propylamino]-1,4-benzoquinone bromide CAS Name: 2-[3-(1-methyl-1-piperidin-1-iumyl)propylamino]cyclohexa-2,5-diene-1,4-dione bromide IUPAC Name: 2-[3-(1-methylpiperidin-1-ium-1-yl)propylamino]cyclohexa-2,5-diene-1,4-dione bromide Traditional Name: 2-[3-(1-methylpiperidin-1-ium-1-yl)propylamino]-p-benzoquinone bromide Formula: C15H23BrN2O2 MolecularWeight: 343.25932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O2.BrH/c1-17(9-3-2-4-10-17)11-5-8-16-14-12-13(18)6-7-15(14)19;/h6-7,12H,2-5,8-11H2,1H3;1H