3-(4-butylphenyl)-6-oxidanylidene-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-diolate

Systemtic Name: 3-(4-butylphenyl)-6-oxidanylidene-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-diolate Openeye Name: 3-(4-butylphenyl)-6-oxo-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-diolate CAS Name: 3-(4-butylphenyl)-6-oxo-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-diolate IUPAC Name: 3-(4-butylphenyl)-6-oxo-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-diolate Traditional Name: 3-(4-butylphenyl)-6-keto-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidine-2,4-diolate Formula: C23H24N3O3- MolecularWeight: 390.45496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=C(C(=O)N=C2[O-])C3C4=CC=CC=C4CC[NH2+]3)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=C(C(=O)N=C2[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-/m1/s1