5-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-1-methyl-6-oxidanyl-pyrimidine-2,4-dione

Systemtic Name: 5-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-1-methyl-6-oxidanyl-pyrimidine-2,4-dione Openeye Name: 6-hydroxy-5-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-1-methyl-pyrimidine-2,4-dione CAS Name: 6-hydroxy-5-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-1-methylpyrimidine-2,4-dione IUPAC Name: 6-hydroxy-5-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-1-methylpyrimidine-2,4-dione Traditional Name: 6-hydroxy-5-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol[4,5-g]isoquinolin-6-ium-5-yl]-1-methyl-pyrimidine-2,4-quinone Formula: C17H20N3O6+ MolecularWeight: 362.3572

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=CC3=C(C(=C2C1C4=C(N(C(=O)NC4=O)C)O)OC)OCO3

Isomeric SMILES

C[NH+]1CCC2=CC3=C(C(=C2[C@H]1C4=C(N(C(=O)NC4=O)C)O)OC)OCO3

InChI

InChI=1S/C17H19N3O6/c1-19-5-4-8-6-9-13(26-7-25-9)14(24-3)10(8)12(19)11-15(21)18-17(23)20(2)16(11)22/h6,12,22H,4-5,7H2,1-3H3,(H,18,21,23)/p+1/t12-/m0/s1