(5R)-3,7-dimethyl-1-phenyl-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridin-7-ium-5-carboxylate

Systemtic Name: (5R)-3,7-dimethyl-1-phenyl-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridin-7-ium-5-carboxylate Openeye Name: (5R)-3,7-dimethyl-1-phenyl-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridin-7-ium-5-carboxylate CAS Name: (5R)-3,7-dimethyl-1-phenyl-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridin-7-ium-5-carboxylate IUPAC Name: (5R)-3,7-dimethyl-1-phenyl-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridin-7-ium-5-carboxylate Traditional Name: (5R)-3,7-dimethyl-1-phenyl-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridin-7-ium-5-carboxylate Formula: C15H17N3O2 MolecularWeight: 271.31438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CC(C[N+](=C2N(N1)C3=CC=CC=C3)C)C(=O)[O-]

Isomeric SMILES

CC1=C2C[C@H](C[N+](=C2N(N1)C3=CC=CC=C3)C)C(=O)[O-]

InChI

InChI=1S/C15H17N3O2/c1-10-13-8-11(15(19)20)9-17(2)14(13)18(16-10)12-6-4-3-5-7-12/h3-7,11H,8-9H2,1-2H3,(H,19,20)/t11-/m1/s1