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

Systemtic Name: N-[(4R,5R)-1-cyclopentylidene-3-oxidanylidene-5-phenyl-pyrazolidin-1-ium-4-yl]benzamide Openeye Name: N-[(4R,5R)-1-cyclopentylidene-3-oxo-5-phenyl-pyrazolidin-1-ium-4-yl]benzamide CAS Name: N-[(4R,5R)-1-cyclopentylidene-3-oxo-5-phenyl-4-pyrazolidin-1-iumyl]benzamide IUPAC Name: N-[(4R,5R)-1-cyclopentylidene-3-oxo-5-phenylpyrazolidin-1-ium-4-yl]benzamide Traditional Name: N-[(4R,5R)-1-cyclopentylidene-3-keto-5-phenyl-pyrazolidin-1-ium-4-yl]benzamide Formula: C21H22N3O2+ MolecularWeight: 348.41828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[N+]2C(C(C(=O)N2)NC(=O)C3=CC=CC=C3)C4=CC=CC=C4)C1

Isomeric SMILES

C1CCC(=[N+]2[C@@H]([C@H](C(=O)N2)NC(=O)C3=CC=CC=C3)C4=CC=CC=C4)C1

InChI

InChI=1S/C21H21N3O2/c25-20(16-11-5-2-6-12-16)22-18-19(15-9-3-1-4-10-15)24(23-21(18)26)17-13-7-8-14-17/h1-6,9-12,18-19H,7-8,13-14H2,(H-,22,23,25,26)/p+1/t18-,19-/m1/s1