6,7-bis(oxidanyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)chromen-2-one

Systemtic Name: 6,7-bis(oxidanyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)chromen-2-one Openeye Name: 6,7-dihydroxy-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)chromen-2-one CAS Name: 6,7-dihydroxy-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1-benzopyran-2-one IUPAC Name: 6,7-dihydroxy-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)chromen-2-one Traditional Name: 6,7-dihydroxy-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)coumarin Formula: C19H18NO4+ MolecularWeight: 324.35052

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=O)OC4=CC(=C(C=C34)O)O

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=O)OC4=CC(=C(C=C34)O)O

InChI

InChI=1S/C19H17NO4/c21-16-8-15-14(7-19(23)24-18(15)9-17(16)22)11-20-6-5-12-3-1-2-4-13(12)10-20/h1-4,7-9,21-22H,5-6,10-11H2/p+1