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

Systemtic Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-6-ethyl-7-hydroxy-coumarin Formula: C23H26NO5+ MolecularWeight: 396.45624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCC4=CC(=C(C=C4C3)OC)OC)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCC4=CC(=C(C=C4C3)OC)OC)O

InChI

InChI=1S/C23H25NO5/c1-4-14-7-18-17(10-23(26)29-20(18)11-19(14)25)13-24-6-5-15-8-21(27-2)22(28-3)9-16(15)12-24/h7-11,25H,4-6,12-13H2,1-3H3/p+1