2-[2-(3-methylpyridin-1-ium-1-yl)-6-oxidanylidene-cyclohexen-1-yl]-2-oxidanyl-indene-1,3-dione

Systemtic Name: 2-[2-(3-methylpyridin-1-ium-1-yl)-6-oxidanylidene-cyclohexen-1-yl]-2-oxidanyl-indene-1,3-dione Openeye Name: 2-hydroxy-2-[2-(3-methylpyridin-1-ium-1-yl)-6-oxo-cyclohexen-1-yl]indane-1,3-dione CAS Name: 2-hydroxy-2-[2-(3-methyl-1-pyridin-1-iumyl)-6-oxo-1-cyclohexenyl]indene-1,3-dione IUPAC Name: 2-hydroxy-2-[2-(3-methylpyridin-1-ium-1-yl)-6-oxocyclohexen-1-yl]indene-1,3-dione Traditional Name: 2-hydroxy-2-[6-keto-2-(3-methylpyridin-1-ium-1-yl)cyclohexen-1-yl]indane-1,3-quinone Formula: C21H18NO4+ MolecularWeight: 348.37192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C2=C(C(=O)CCC2)C3(C(=O)C4=CC=CC=C4C3=O)O

Isomeric SMILES

CC1=C[N+](=CC=C1)C2=C(C(=O)CCC2)C3(C(=O)C4=CC=CC=C4C3=O)O

InChI

InChI=1S/C21H18NO4/c1-13-6-5-11-22(12-13)16-9-4-10-17(23)18(16)21(26)19(24)14-7-2-3-8-15(14)20(21)25/h2-3,5-8,11-12,26H,4,9-10H2,1H3/q+1