3-butyl-5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-oxidanylidene-pyrimidine-2,4-diolate

Systemtic Name: 3-butyl-5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-oxidanylidene-pyrimidine-2,4-diolate Openeye Name: 3-butyl-5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-oxo-pyrimidine-2,4-diolate CAS Name: 3-butyl-5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-oxopyrimidine-2,4-diolate IUPAC Name: 3-butyl-5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-oxopyrimidine-2,4-diolate Traditional Name: 3-butyl-5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-keto-pyrimidine-2,4-diolate Formula: C19H24N3O5- MolecularWeight: 374.41096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)N=C1[O-])C2C3=CC(=C(C=C3CC[NH2+]2)OC)OC)[O-]

Isomeric SMILES

CCCCN1C(=C(C(=O)N=C1[O-])[C@@H]2C3=CC(=C(C=C3CC[NH2+]2)OC)OC)[O-]

InChI

InChI=1S/C19H25N3O5/c1-4-5-8-22-18(24)15(17(23)21-19(22)25)16-12-10-14(27-3)13(26-2)9-11(12)6-7-20-16/h9-10,16,20,24H,4-8H2,1-3H3,(H,21,23,25)/p-1/t16-/m0/s1