N-[(1Z,4R,5R)-1-(furan-2-ylmethylidene)-3-oxidanylidene-5-phenyl-pyrazolidin-1-ium-4-yl]benzamide

Systemtic Name: N-[(1Z,4R,5R)-1-(furan-2-ylmethylidene)-3-oxidanylidene-5-phenyl-pyrazolidin-1-ium-4-yl]benzamide Openeye Name: N-[(1Z,4R,5R)-1-(2-furylmethylene)-3-oxo-5-phenyl-pyrazolidin-1-ium-4-yl]benzamide CAS Name: N-[(1Z,4R,5R)-1-(2-furanylmethylidene)-3-oxo-5-phenyl-4-pyrazolidin-1-iumyl]benzamide IUPAC Name: N-[(1Z,4R,5R)-1-(furan-2-ylmethylidene)-3-oxo-5-phenylpyrazolidin-1-ium-4-yl]benzamide Traditional Name: N-[(1Z,4R,5R)-1-(2-furfurylidene)-3-keto-5-phenyl-pyrazolidin-1-ium-4-yl]benzamide Formula: C21H18N3O3+ MolecularWeight: 360.38592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(=O)N[N+]2=CC3=CC=CO3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]\2[C@H](C(=O)N/[N+]2=C\C3=CC=CO3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O3/c25-20(16-10-5-2-6-11-16)22-18-19(15-8-3-1-4-9-15)24(23-21(18)26)14-17-12-7-13-27-17/h1-14,18-19H,(H-,22,23,25,26)/p+1/b24-14-/t18-,19-/m1/s1