1-(3,6-dimethylheptyl)pyrrol-1-ium-2,5-dione bromide

Systemtic Name: 1-(3,6-dimethylheptyl)pyrrol-1-ium-2,5-dione bromide Openeye Name: 1-(3,6-dimethylheptyl)pyrrol-1-ium-2,5-dione bromide CAS Name: 1-(3,6-dimethylheptyl)pyrrol-1-ium-2,5-dione bromide IUPAC Name: 1-(3,6-dimethylheptyl)pyrrol-1-ium-2,5-dione bromide Traditional Name: 1-(3,6-dimethylheptyl)-3-pyrrolin-1-ium-2,5-quinone bromide Formula: C13H22BrNO2 MolecularWeight: 304.22328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)CC[NH+]1C(=O)C=CC1=O.[Br-]

Isomeric SMILES

CC(C)CCC(C)CC[NH+]1C(=O)C=CC1=O.[Br-]

InChI

InChI=1S/C13H21NO2.BrH/c1-10(2)4-5-11(3)8-9-14-12(15)6-7-13(14)16;/h6-7,10-11H,4-5,8-9H2,1-3H3;1H