5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-oxidanyl-1-prop-2-enyl-pyrimidine-2,4-dione

Systemtic Name: 5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-oxidanyl-1-prop-2-enyl-pyrimidine-2,4-dione Openeye Name: 1-allyl-5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-pyrimidine-2,4-dione CAS Name: 5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione IUPAC Name: 5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione Traditional Name: 1-allyl-5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-pyrimidine-2,4-quinone Formula: C18H22N3O5+ MolecularWeight: 360.38438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C2[C@@H]([NH2+]CCC2=C1)C3=C(N(C(=O)NC3=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-/m1/s1