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

Systemtic Name: 3-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-oxidanyl-chromen-4-one Openeye Name: 3-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-hydroxy-chromen-4-one CAS Name: 3-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-hydroxy-1-benzopyran-4-one IUPAC Name: 3-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-hydroxychromen-4-one Traditional Name: 3-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-hydroxy-chromone Formula: C20H20NO5+ MolecularWeight: 354.3765

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH2+]CCC2=C1)C3=C(OC4=CC=CC=C4C3=O)O)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH2+]CCC2=C1)C3=C(OC4=CC=CC=C4C3=O)O)OC

InChI

InChI=1S/C20H19NO5/c1-24-15-9-11-7-8-21-18(13(11)10-16(15)25-2)17-19(22)12-5-3-4-6-14(12)26-20(17)23/h3-6,9-10,18,21,23H,7-8H2,1-2H3/p+1/t18-/m0/s1