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

Systemtic Name: 1-(4-ethoxyphenyl)-6-oxidanyl-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione Openeye Name: 1-(4-ethoxyphenyl)-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione CAS Name: 1-(4-ethoxyphenyl)-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione IUPAC Name: 1-(4-ethoxyphenyl)-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione Traditional Name: 6-hydroxy-1-p-phenetyl-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-quinone Formula: C21H22N3O4+ MolecularWeight: 380.41708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=C(C(=O)NC2=O)C3C4=CC=CC=C4CC[NH2+]3)O

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=C(C(=O)NC2=O)[C@@H]3C4=CC=CC=C4CC[NH2+]3)O

InChI

InChI=1S/C21H21N3O4/c1-2-28-15-9-7-14(8-10-15)24-20(26)17(19(25)23-21(24)27)18-16-6-4-3-5-13(16)11-12-22-18/h3-10,18,22,26H,2,11-12H2,1H3,(H,23,25,27)/p+1/t18-/m0/s1