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

Systemtic Name: 2-[2-(2-chloranyl-1-oxidanyl-ethylidene)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-1-ylidene]cyclohexane-1,3-dione Openeye Name: 2-[2-(2-chloro-1-hydroxy-ethylidene)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-1-ylidene]cyclohexane-1,3-dione CAS Name: 2-[2-(2-chloro-1-hydroxyethylidene)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-1-ylidene]cyclohexane-1,3-dione IUPAC Name: 2-[2-(2-chloro-1-hydroxyethylidene)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-1-ylidene]cyclohexane-1,3-dione Traditional Name: 2-[2-(2-chloro-1-hydroxy-ethylidene)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-1-ylidene]cyclohexane-1,3-quinone Formula: C19H21ClNO5+ MolecularWeight: 378.82674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC[N+](=C(CCl)O)C2=C3C(=O)CCCC3=O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CC[N+](=C(CCl)O)C2=C3C(=O)CCCC3=O)OC

InChI

InChI=1S/C19H20ClNO5/c1-25-15-8-11-6-7-21(17(24)10-20)19(12(11)9-16(15)26-2)18-13(22)4-3-5-14(18)23/h8-9H,3-7,10H2,1-2H3/p+1