(3R,4R)-4-benzamido-3-phenyl-2-propan-2-ylidene-3,4-dihydropyrazol-2-ium-5-olate

Systemtic Name: (3R,4R)-4-benzamido-3-phenyl-2-propan-2-ylidene-3,4-dihydropyrazol-2-ium-5-olate Openeye Name: (3R,4R)-4-benzamido-2-isopropylidene-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate CAS Name: (3R,4R)-4-benzamido-3-phenyl-2-propan-2-ylidene-3,4-dihydropyrazol-2-ium-5-olate IUPAC Name: (3R,4R)-4-benzamido-3-phenyl-2-propan-2-ylidene-3,4-dihydropyrazol-2-ium-5-olate Traditional Name: (4R,5R)-4-benzamido-1-isopropylidene-5-phenyl-2-pyrazolin-1-ium-3-olate Formula: C19H19N3O2 MolecularWeight: 321.37306

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[N+]1C(C(C(=N1)[O-])NC(=O)C2=CC=CC=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC(=[N+]1[C@@H]([C@H](C(=N1)[O-])NC(=O)C2=CC=CC=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C19H19N3O2/c1-13(2)22-17(14-9-5-3-6-10-14)16(19(24)21-22)20-18(23)15-11-7-4-8-12-15/h3-12,16-17H,1-2H3,(H-,20,21,23,24)/t16-,17-/m1/s1