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

Systemtic Name: 7-[[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methoxy]-4-methyl-chromen-2-one Openeye Name: 7-[[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methoxy]-4-methyl-chromen-2-one CAS Name: 7-[[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methoxy]-4-methylchromen-2-one Traditional Name: 7-[[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methoxy]-4-methyl-coumarin Formula: C22H24NO5+ MolecularWeight: 382.42966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3C4=CC(=C(C=C4CC[NH2+]3)OC)OC

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC[C@@H]3C4=CC(=C(C=C4CC[NH2+]3)OC)OC

InChI

InChI=1S/C22H23NO5/c1-13-8-22(24)28-19-10-15(4-5-16(13)19)27-12-18-17-11-21(26-3)20(25-2)9-14(17)6-7-23-18/h4-5,8-11,18,23H,6-7,12H2,1-3H3/p+1/t18-/m1/s1