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

Systemtic Name: 3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]chromen-4-one Openeye Name: 3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]chromen-4-one CAS Name: 3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1-benzopyran-4-one IUPAC Name: 3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]chromen-4-one Traditional Name: 3-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]chromone Formula: C21H22NO4+ MolecularWeight: 352.40368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC3=COC4=CC=CC=C4C3=O)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC3=COC4=CC=CC=C4C3=O)OC

InChI

InChI=1S/C21H21NO4/c1-24-19-9-14-7-8-22(11-15(14)10-20(19)25-2)12-16-13-26-18-6-4-3-5-17(18)21(16)23/h3-6,9-10,13H,7-8,11-12H2,1-2H3/p+1