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

Systemtic Name: 1-methyl-6-oxidanyl-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione Openeye Name: 6-hydroxy-1-methyl-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione CAS Name: 6-hydroxy-1-methyl-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione IUPAC Name: 6-hydroxy-1-methyl-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione Traditional Name: 6-hydroxy-1-methyl-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-quinone Formula: C14H16N3O3+ MolecularWeight: 274.29514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)NC1=O)C2C3=CC=CC=C3CC[NH2+]2)O

Isomeric SMILES

CN1C(=C(C(=O)NC1=O)[C@H]2C3=CC=CC=C3CC[NH2+]2)O

InChI

InChI=1S/C14H15N3O3/c1-17-13(19)10(12(18)16-14(17)20)11-9-5-3-2-4-8(9)6-7-15-11/h2-5,11,15,19H,6-7H2,1H3,(H,16,18,20)/p+1/t11-/m1/s1