2-[3,5-bis(oxidanylidene)-1,2-diphenyl-pyrazolidin-4-yl]ethyl-diethyl-azanium chloride

Systemtic Name: 2-[3,5-bis(oxidanylidene)-1,2-diphenyl-pyrazolidin-4-yl]ethyl-diethyl-azanium chloride Openeye Name: 2-(3,5-dioxo-1,2-diphenyl-pyrazolidin-4-yl)ethyl-diethyl-ammonium chloride CAS Name: 2-(3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)ethyl-diethylammonium chloride IUPAC Name: 2-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)ethyl-diethylazanium chloride Traditional Name: 2-(3,5-diketo-1,2-diphenyl-pyrazolidin-4-yl)ethyl-diethyl-ammonium chloride Formula: C21H26ClN3O2 MolecularWeight: 387.90304

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H25N3O2.ClH/c1-3-22(4-2)16-15-19-20(25)23(17-11-7-5-8-12-17)24(21(19)26)18-13-9-6-10-14-18;/h5-14,19H,3-4,15-16H2,1-2H3;1H