4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-7,8-dimethyl-coumarin Formula: C23H26NO4+ MolecularWeight: 380.45684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC4=CC(=C(C=C4C3)OC)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC4=CC(=C(C=C4C3)OC)OC)C

InChI

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