(2Z,3R,4R)-4-benzamido-2-[(4-dimethylaminophenyl)methylidene]-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate

Systemtic Name: (2Z,3R,4R)-4-benzamido-2-[(4-dimethylaminophenyl)methylidene]-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate Openeye Name: (2Z,3R,4R)-4-benzamido-2-[(4-dimethylaminophenyl)methylene]-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate CAS Name: (2Z,3R,4R)-4-benzamido-2-[(4-dimethylaminophenyl)methylidene]-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate IUPAC Name: (2Z,3R,4R)-4-benzamido-2-[(4-dimethylaminophenyl)methylidene]-3-phenyl-3,4-dihydropyrazol-2-ium-5-olate Traditional Name: (1Z,4R,5R)-4-benzamido-1-[4-(dimethylamino)benzylidene]-5-phenyl-2-pyrazolin-1-ium-3-olate Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O2/c1-28(2)21-15-13-18(14-16-21)17-29-23(19-9-5-3-6-10-19)22(25(31)27-29)26-24(30)20-11-7-4-8-12-20/h3-17,22-23H,1-2H3,(H-,26,27,30,31)/t22-,23-/m1/s1