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

Systemtic Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-7-methoxy-chromen-2-one Openeye Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-7-methoxy-chromen-2-one CAS Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-7-methoxychromen-2-one Traditional Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-7-methoxy-coumarin Formula: C22H24NO5+ MolecularWeight: 382.42966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C22H23NO5/c1-25-17-4-5-18-16(10-22(24)28-19(18)11-17)13-23-7-6-14-8-20(26-2)21(27-3)9-15(14)12-23/h4-5,8-11H,6-7,12-13H2,1-3H3/p+1