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

Systemtic Name: 2-[2-(2-chloranyl-1-oxidanyl-ethylidene)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-1-ylidene]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[2-(2-chloro-1-hydroxy-ethylidene)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-1-ylidene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[2-(2-chloro-1-hydroxyethylidene)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-1-ylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[2-(2-chloro-1-hydroxyethylidene)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-1-ylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[2-(2-chloro-1-hydroxy-ethylidene)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-1-ylidene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C21H25ClNO5+ MolecularWeight: 406.8799

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=C2C3=CC(=C(C=C3CC[N+]2=C(CCl)O)OC)OC)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=C2C3=CC(=C(C=C3CC[N+]2=C(CCl)O)OC)OC)C(=O)C1)C

InChI

InChI=1S/C21H24ClNO5/c1-21(2)9-14(24)19(15(25)10-21)20-13-8-17(28-4)16(27-3)7-12(13)5-6-23(20)18(26)11-22/h7-8H,5-6,9-11H2,1-4H3/p+1