1-[(3-nitrophenyl)methyl]-4-(3-phenylpropyl)piperazin-4-ium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-[(3-nitrophenyl)methyl]-4-(3-phenylpropyl)piperazin-4-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 1-[(3-nitrophenyl)methyl]-4-(3-phenylpropyl)piperazin-4-ium CAS Name: 2-hydroxy-2-oxoacetate; 1-[(3-nitrophenyl)methyl]-4-(3-phenylpropyl)piperazin-4-ium IUPAC Name: 2-hydroxy-2-oxoacetate; 1-[(3-nitrophenyl)methyl]-4-(3-phenylpropyl)piperazin-4-ium Traditional Name: 1-(3-nitrobenzyl)-4-(3-phenylpropyl)piperazin-4-ium binoxalate Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC2=CC=CC=C2)CC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CN(CC[NH+]1CCCC2=CC=CC=C2)CC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)[O-])O

InChI

InChI=1S/C20H25N3O2.C2H2O4/c24-23(25)20-10-4-8-19(16-20)17-22-14-12-21(13-15-22)11-5-9-18-6-2-1-3-7-18;3-1(4)2(5)6/h1-4,6-8,10,16H,5,9,11-15,17H2;(H,3,4)(H,5,6)