5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-(3,5-dimethylphenyl)-6-oxidanyl-pyrimidine-2,4-dione

Systemtic Name: 5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-(3,5-dimethylphenyl)-6-oxidanyl-pyrimidine-2,4-dione Openeye Name: 5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-(3,5-dimethylphenyl)-6-hydroxy-pyrimidine-2,4-dione CAS Name: 5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione IUPAC Name: 5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione Traditional Name: 5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-(3,5-dimethylphenyl)-6-hydroxy-pyrimidine-2,4-quinone Formula: C23H26N3O5+ MolecularWeight: 424.46964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=C(C(=O)NC2=O)C3C4=CC(=C(C=C4CC[NH2+]3)OC)OC)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=C(C(=O)NC2=O)[C@H]3C4=CC(=C(C=C4CC[NH2+]3)OC)OC)O)C

InChI

InChI=1S/C23H25N3O5/c1-12-7-13(2)9-15(8-12)26-22(28)19(21(27)25-23(26)29)20-16-11-18(31-4)17(30-3)10-14(16)5-6-24-20/h7-11,20,24,28H,5-6H2,1-4H3,(H,25,27,29)/p+1/t20-/m1/s1