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

Systemtic Name: N-[(1E,4R,5R)-1-butylidene-3-oxidanylidene-5-phenyl-pyrazolidin-1-ium-4-yl]benzamide Openeye Name: N-[(1E,4R,5R)-1-butylidene-3-oxo-5-phenyl-pyrazolidin-1-ium-4-yl]benzamide CAS Name: N-[(1E,4R,5R)-1-butylidene-3-oxo-5-phenyl-4-pyrazolidin-1-iumyl]benzamide IUPAC Name: N-[(1E,4R,5R)-1-butylidene-3-oxo-5-phenylpyrazolidin-1-ium-4-yl]benzamide Traditional Name: N-[(1E,4R,5R)-1-butylidene-3-keto-5-phenyl-pyrazolidin-1-ium-4-yl]benzamide Formula: C20H22N3O2+ MolecularWeight: 336.40758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC/C=[N+]/1\[C@@H]([C@H](C(=O)N1)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)/p+1/b23-14+/t17-,18-/m1/s1