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

Systemtic Name: 3-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]chromen-4-one Openeye Name: 3-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]chromen-4-one CAS Name: 3-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-benzopyran-4-one IUPAC Name: 3-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]chromen-4-one Traditional Name: 3-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]chromone Formula: C22H24NO4+ MolecularWeight: 366.43026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C([NH2+]CCC2=C1)C3=COC4=CC=CC=C4C3=O)OCC

Isomeric SMILES

CCOC1=C(C=C2[C@@H]([NH2+]CCC2=C1)C3=COC4=CC=CC=C4C3=O)OCC

InChI

InChI=1S/C22H23NO4/c1-3-25-19-11-14-9-10-23-21(16(14)12-20(19)26-4-2)17-13-27-18-8-6-5-7-15(18)22(17)24/h5-8,11-13,21,23H,3-4,9-10H2,1-2H3/p+1/t21-/m1/s1