2-[6,7-dimethoxy-2-(1-oxidanylethylidene)-3,4-dihydroisoquinolin-2-ium-1-ylidene]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[6,7-dimethoxy-2-(1-oxidanylethylidene)-3,4-dihydroisoquinolin-2-ium-1-ylidene]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[2-(1-hydroxyethylidene)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-1-ylidene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[2-(1-hydroxyethylidene)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-1-ylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[2-(1-hydroxyethylidene)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-1-ylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[2-(1-hydroxyethylidene)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-1-ylidene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C21H26NO5+ MolecularWeight: 372.43484

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[N+]1CCC2=CC(=C(C=C2C1=C3C(=O)CC(CC3=O)(C)C)OC)OC)O

Isomeric SMILES

CC(=[N+]1CCC2=CC(=C(C=C2C1=C3C(=O)CC(CC3=O)(C)C)OC)OC)O

InChI

InChI=1S/C21H25NO5/c1-12(23)22-7-6-13-8-17(26-4)18(27-5)9-14(13)20(22)19-15(24)10-21(2,3)11-16(19)25/h8-9H,6-7,10-11H2,1-5H3/p+1