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

Systemtic Name: N-[(1Z,4R,5R)-3-oxidanylidene-5-phenyl-1-propylidene-pyrazolidin-1-ium-4-yl]benzamide Openeye Name: N-[(1Z,4R,5R)-3-oxo-5-phenyl-1-propylidene-pyrazolidin-1-ium-4-yl]benzamide CAS Name: N-[(1Z,4R,5R)-3-oxo-5-phenyl-1-propylidene-4-pyrazolidin-1-iumyl]benzamide IUPAC Name: N-[(1Z,4R,5R)-3-oxo-5-phenyl-1-propylidenepyrazolidin-1-ium-4-yl]benzamide Traditional Name: N-[(1Z,4R,5R)-3-keto-5-phenyl-1-propylidene-pyrazolidin-1-ium-4-yl]benzamide Formula: C19H20N3O2+ MolecularWeight: 322.381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O2/c1-2-13-22-17(14-9-5-3-6-10-14)16(19(24)21-22)20-18(23)15-11-7-4-8-12-15/h3-13,16-17H,2H2,1H3,(H-,20,21,23,24)/p+1/b22-13-/t16-,17-/m1/s1