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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-oxidanyl-pyrimidine-2,4-dione Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-pyrimidine-2,4-dione CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxypyrimidine-2,4-dione IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxypyrimidine-2,4-dione Traditional Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-homoveratryl-6-hydroxy-pyrimidine-2,4-quinone Formula: C25H30N3O7+ MolecularWeight: 484.5216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=C(C(=O)NC2=O)C3C4=CC(=C(C=C4CC[NH2+]3)OC)OC)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=C(C(=O)NC2=O)[C@@H]3C4=CC(=C(C=C4CC[NH2+]3)OC)OC)O)OC

InChI

InChI=1S/C25H29N3O7/c1-32-17-6-5-14(11-18(17)33-2)8-10-28-24(30)21(23(29)27-25(28)31)22-16-13-20(35-4)19(34-3)12-15(16)7-9-26-22/h5-6,11-13,22,26,30H,7-10H2,1-4H3,(H,27,29,31)/p+1/t22-/m0/s1