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

Systemtic Name: (2E,3R,4R)-4-benzamido-2-butylidene-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate Openeye Name: (2E,3R,4R)-4-benzamido-2-butylidene-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate CAS Name: (2E,3R,4R)-4-benzamido-2-butylidene-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate IUPAC Name: (2E,3R,4R)-4-benzamido-2-butylidene-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate Traditional Name: (1E,4R,5R)-4-benzamido-1-butylidene-5-phenyl-2-pyrazolin-1-ium-3-olate Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2/c1-2-3-14-23-18(15-10-6-4-7-11-15)17(20(25)22-23)21-19(24)16-12-8-5-9-13-16/h4-14,17-18H,2-3H2,1H3,(H-,21,22,24,25)/b23-14+/t17-,18-/m1/s1