2,2-dimethyl-5-[(5-piperidin-1-ium-1-ylfuran-2-yl)methylidene]-1,3-dioxane-4,6-dione bromide

Systemtic Name: 2,2-dimethyl-5-[(5-piperidin-1-ium-1-ylfuran-2-yl)methylidene]-1,3-dioxane-4,6-dione bromide Openeye Name: 2,2-dimethyl-5-[(5-piperidin-1-ium-1-yl-2-furyl)methylene]-1,3-dioxane-4,6-dione bromide CAS Name: 2,2-dimethyl-5-[[5-(1-piperidin-1-iumyl)-2-furanyl]methylidene]-1,3-dioxane-4,6-dione bromide IUPAC Name: 2,2-dimethyl-5-[(5-piperidin-1-ium-1-ylfuran-2-yl)methylidene]-1,3-dioxane-4,6-dione bromide Traditional Name: 2,2-dimethyl-5-[(5-piperidin-1-ium-1-yl-2-furyl)methylene]-1,3-dioxane-4,6-quinone bromide Formula: C16H20BrNO5 MolecularWeight: 386.2377

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=CC2=CC=C(O2)[NH+]3CCCCC3)C(=O)O1)C.[Br-]

Isomeric SMILES

CC1(OC(=O)C(=CC2=CC=C(O2)[NH+]3CCCCC3)C(=O)O1)C.[Br-]

InChI

InChI=1S/C16H19NO5.BrH/c1-16(2)21-14(18)12(15(19)22-16)10-11-6-7-13(20-11)17-8-4-3-5-9-17;/h6-7,10H,3-5,8-9H2,1-2H3;1H