N-[(1Z,4S,5R)-1-[(4-methoxyphenyl)methylidene]-3-oxidanylidene-5-phenyl-pyrazolidin-1-ium-4-yl]benzamide

Systemtic Name: N-[(1Z,4S,5R)-1-[(4-methoxyphenyl)methylidene]-3-oxidanylidene-5-phenyl-pyrazolidin-1-ium-4-yl]benzamide Openeye Name: N-[(1Z,4S,5R)-1-[(4-methoxyphenyl)methylene]-3-oxo-5-phenyl-pyrazolidin-1-ium-4-yl]benzamide CAS Name: N-[(1Z,4S,5R)-1-[(4-methoxyphenyl)methylidene]-3-oxo-5-phenyl-4-pyrazolidin-1-iumyl]benzamide IUPAC Name: N-[(1Z,4S,5R)-1-[(4-methoxyphenyl)methylidene]-3-oxo-5-phenylpyrazolidin-1-ium-4-yl]benzamide Traditional Name: N-[(1Z,4S,5R)-3-keto-1-p-anisylidene-5-phenyl-pyrazolidin-1-ium-4-yl]benzamide Formula: C24H22N3O3+ MolecularWeight: 400.44978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=[N+]2C(C(C(=O)N2)NC(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)/C=[N+]\2/[C@@H]([C@@H](C(=O)N2)NC(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H21N3O3/c1-30-20-14-12-17(13-15-20)16-27-22(18-8-4-2-5-9-18)21(24(29)26-27)25-23(28)19-10-6-3-7-11-19/h2-16,21-22H,1H3,(H-,25,26,28,29)/p+1/b27-16-/t21-,22+/m0/s1