4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-7-hydroxy-chromen-2-one CAS Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-7-hydroxychromen-2-one Traditional Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-7-hydroxy-coumarin Formula: C21H22NO5+ MolecularWeight: 368.40308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC(=O)OC4=C3C=CC(=C4)O)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC(=O)OC4=C3C=CC(=C4)O)OC

InChI

InChI=1S/C21H21NO5/c1-25-19-7-13-5-6-22(11-14(13)8-20(19)26-2)12-15-9-21(24)27-18-10-16(23)3-4-17(15)18/h3-4,7-10,23H,5-6,11-12H2,1-2H3/p+1