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

Systemtic Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-7-ethyl-chromen-2-one Openeye Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-7-ethyl-chromen-2-one CAS Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-7-ethylchromen-2-one Traditional Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-7-ethyl-coumarin Formula: C23H26NO4+ MolecularWeight: 380.45684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C23H25NO4/c1-4-15-5-6-19-18(12-23(25)28-20(19)9-15)14-24-8-7-16-10-21(26-2)22(27-3)11-17(16)13-24/h5-6,9-12H,4,7-8,13-14H2,1-3H3/p+1