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

Systemtic Name: 6-chloranyl-4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-7-methyl-coumarin Formula: C22H23ClNO4+ MolecularWeight: 400.87532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCC4=CC(=C(C=C4C3)OC)OC)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCC4=CC(=C(C=C4C3)OC)OC)Cl

InChI

InChI=1S/C22H22ClNO4/c1-13-6-19-17(10-18(13)23)16(9-22(25)28-19)12-24-5-4-14-7-20(26-2)21(27-3)8-15(14)11-24/h6-10H,4-5,11-12H2,1-3H3/p+1