4-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-5-methyl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-5-methyl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-5-methyl-1,2-dihydropyrazol-3-one CAS Name: 4-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-5-methyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-5-methyl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-5-methyl-3-pyrazolin-3-one Formula: C15H20N3O3+ MolecularWeight: 290.3376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C2C3=CC(=C(C=C3CC[NH2+]2)OC)OC

Isomeric SMILES

CC1=C(C(=O)NN1)[C@H]2C3=CC(=C(C=C3CC[NH2+]2)OC)OC

InChI

InChI=1S/C15H19N3O3/c1-8-13(15(19)18-17-8)14-10-7-12(21-3)11(20-2)6-9(10)4-5-16-14/h6-7,14,16H,4-5H2,1-3H3,(H2,17,18,19)/p+1/t14-/m1/s1