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

Systemtic Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-oxidanylidene-3-prop-2-enyl-pyrimidine-2,4-diolate Openeye Name: 3-allyl-5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-oxo-pyrimidine-2,4-diolate CAS Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-oxo-3-prop-2-enylpyrimidine-2,4-diolate IUPAC Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-oxo-3-prop-2-enylpyrimidine-2,4-diolate Traditional Name: 3-allyl-5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-keto-pyrimidine-2,4-diolate Formula: C18H20N3O5- MolecularWeight: 358.3685

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH2+]CCC2=C1)C3=C(N(C(=NC3=O)[O-])CC=C)[O-])OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH2+]CCC2=C1)C3=C(N(C(=NC3=O)[O-])CC=C)[O-])OC

InChI

InChI=1S/C18H21N3O5/c1-4-7-21-17(23)14(16(22)20-18(21)24)15-11-9-13(26-3)12(25-2)8-10(11)5-6-19-15/h4,8-9,15,19,23H,1,5-7H2,2-3H3,(H,20,22,24)/p-1/t15-/m0/s1