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

Systemtic Name: 5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-oxidanyl-1-prop-2-enyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-allyl-5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-2-thioxo-pyrimidin-4-one CAS Name: 5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-1-prop-2-enyl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-allyl-5-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-6-hydroxy-2-thioxo-pyrimidin-4-one Formula: C18H22N3O4S+ MolecularWeight: 376.44998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S/c1-4-7-21-17(23)14(16(22)20-18(21)26)15-11-9-13(25-3)12(24-2)8-10(11)5-6-19-15/h4,8-9,15,19,23H,1,5-7H2,2-3H3,(H,20,22,26)/p+1/t15-/m1/s1