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

Systemtic Name: (3R,4R)-4-benzamido-2-cyclopentylidene-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate Openeye Name: (3R,4R)-4-benzamido-2-cyclopentylidene-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate CAS Name: (3R,4R)-4-benzamido-2-cyclopentylidene-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate IUPAC Name: (3R,4R)-4-benzamido-2-cyclopentylidene-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate Traditional Name: (4R,5R)-4-benzamido-1-cyclopentylidene-5-phenyl-2-pyrazolin-1-ium-3-olate Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[N+]2C(C(C(=N2)[O-])NC(=O)C3=CC=CC=C3)C4=CC=CC=C4)C1

Isomeric SMILES

C1CCC(=[N+]2[C@@H]([C@H](C(=N2)[O-])NC(=O)C3=CC=CC=C3)C4=CC=CC=C4)C1

InChI

InChI=1S/C21H21N3O2/c25-20(16-11-5-2-6-12-16)22-18-19(15-9-3-1-4-10-15)24(23-21(18)26)17-13-7-8-14-17/h1-6,9-12,18-19H,7-8,13-14H2,(H-,22,23,25,26)/t18-,19-/m1/s1