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

Systemtic Name: 1-(4-butylphenyl)-6-oxidanyl-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione Openeye Name: 1-(4-butylphenyl)-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione CAS Name: 1-(4-butylphenyl)-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione IUPAC Name: 1-(4-butylphenyl)-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-dione Traditional Name: 1-(4-butylphenyl)-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-quinone Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=C(C(=O)NC2=O)C3C4=CC=CC=C4CC[NH2+]3)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=C(C(=O)NC2=O)[C@@H]3C4=CC=CC=C4CC[NH2+]3)O

InChI

InChI=1S/C23H25N3O3/c1-2-3-6-15-9-11-17(12-10-15)26-22(28)19(21(27)25-23(26)29)20-18-8-5-4-7-16(18)13-14-24-20/h4-5,7-12,20,24,28H,2-3,6,13-14H2,1H3,(H,25,27,29)/p+1/t20-/m0/s1