1,3-diphenyl-1-(1-prop-2-enylpyrrolidin-1-ium-3-yl)urea; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1,3-diphenyl-1-(1-prop-2-enylpyrrolidin-1-ium-3-yl)urea; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-(1-allylpyrrolidin-1-ium-3-yl)-1,3-diphenyl-urea; 2-hydroxy-2-oxo-acetate CAS Name: 1,3-diphenyl-1-(1-prop-2-enyl-3-pyrrolidin-1-iumyl)urea; 2-hydroxy-2-oxoacetate IUPAC Name: 1,3-diphenyl-1-(1-prop-2-enylpyrrolidin-1-ium-3-yl)urea; 2-hydroxy-2-oxoacetate Traditional Name: 1-(1-allylpyrrolidin-1-ium-3-yl)-1,3-diphenyl-urea binoxalate Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+]1CCC(C1)N(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3.C(=O)(C(=O)[O-])O

Isomeric SMILES

C=CC[NH+]1CCC(C1)N(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C20H23N3O.C2H2O4/c1-2-14-22-15-13-19(16-22)23(18-11-7-4-8-12-18)20(24)21-17-9-5-3-6-10-17;3-1(4)2(5)6/h2-12,19H,1,13-16H2,(H,21,24);(H,3,4)(H,5,6)