2-oxidanyl-2-oxidanylidene-ethanoate; [4-(2-oxidanyl-3-phenylmethoxy-propyl)piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: 2-oxidanyl-2-oxidanylidene-ethanoate; [4-(2-oxidanyl-3-phenylmethoxy-propyl)piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-(3-benzyloxy-2-hydroxy-propyl)piperazin-4-ium-1-yl]-phenyl-methanone; 2-hydroxy-2-oxo-acetate CAS Name: 2-hydroxy-2-oxoacetate; [4-(2-hydroxy-3-phenylmethoxypropyl)-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: 2-hydroxy-2-oxoacetate; [4-(2-hydroxy-3-phenylmethoxypropyl)piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-(3-benzoxy-2-hydroxy-propyl)piperazin-4-ium-1-yl]-phenyl-methanone binoxalate Formula: C23H28N2O7 MolecularWeight: 444.47762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COCC2=CC=CC=C2)O)C(=O)C3=CC=CC=C3.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CN(CC[NH+]1CC(COCC2=CC=CC=C2)O)C(=O)C3=CC=CC=C3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C21H26N2O3.C2H2O4/c24-20(17-26-16-18-7-3-1-4-8-18)15-22-11-13-23(14-12-22)21(25)19-9-5-2-6-10-19;3-1(4)2(5)6/h1-10,20,24H,11-17H2;(H,3,4)(H,5,6)