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

Systemtic Name: 6-oxidanyl-1-(phenylmethyl)-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione Openeye Name: 1-benzyl-6-hydroxy-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione CAS Name: 6-hydroxy-1-(phenylmethyl)-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione IUPAC Name: 1-benzyl-6-hydroxy-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione Traditional Name: 1-benzyl-6-hydroxy-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-quinone Formula: C20H20N3O3+ MolecularWeight: 350.3911

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]C(C2=CC=CC=C21)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)O

Isomeric SMILES

C1C[NH2+][C@H](C2=CC=CC=C21)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)O

InChI

InChI=1S/C20H19N3O3/c24-18-16(17-15-9-5-4-8-14(15)10-11-21-17)19(25)23(20(26)22-18)12-13-6-2-1-3-7-13/h1-9,17,21,25H,10-12H2,(H,22,24,26)/p+1/t17-/m1/s1