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

Systemtic Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-ethyl-6-oxidanyl-pyrimidine-2,4-dione Openeye Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-ethyl-6-hydroxy-pyrimidine-2,4-dione CAS Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-ethyl-6-hydroxypyrimidine-2,4-dione IUPAC Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-ethyl-6-hydroxypyrimidine-2,4-dione Traditional Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-ethyl-6-hydroxy-pyrimidine-2,4-quinone Formula: C17H22N3O5+ MolecularWeight: 348.37368

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=O)NC1=O)C2C3=CC(=C(C=C3CC[NH2+]2)OC)OC)O

Isomeric SMILES

CCN1C(=C(C(=O)NC1=O)[C@@H]2C3=CC(=C(C=C3CC[NH2+]2)OC)OC)O

InChI

InChI=1S/C17H21N3O5/c1-4-20-16(22)13(15(21)19-17(20)23)14-10-8-12(25-3)11(24-2)7-9(10)5-6-18-14/h7-8,14,18,22H,4-6H2,1-3H3,(H,19,21,23)/p+1/t14-/m0/s1