2-(4-methylpiperazine-1,4-diium-1-yl)ethyl 3-azanyl-1-(phenylmethyl)pyrazole-4-carboxylate; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 2-(4-methylpiperazine-1,4-diium-1-yl)ethyl 3-azanyl-1-(phenylmethyl)pyrazole-4-carboxylate; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 2-(4-methylpiperazine-1,4-diium-1-yl)ethyl 3-amino-1-benzyl-pyrazole-4-carboxylate CAS Name: 3-amino-1-(phenylmethyl)-4-pyrazolecarboxylic acid 2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl ester; 2-hydroxy-2-oxoacetate IUPAC Name: 2-hydroxy-2-oxoacetate; 2-(4-methylpiperazine-1,4-diium-1-yl)ethyl 3-amino-1-benzylpyrazole-4-carboxylate Traditional Name: 3-amino-1-benzyl-pyrazole-4-carboxylic acid 2-(4-methylpiperazine-1,4-diium-1-yl)ethyl ester dibinoxalate Formula: C22H29N5O10 MolecularWeight: 523.49316

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCOC(=O)C2=CN(N=C2N)CC3=CC=CC=C3.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCOC(=O)C2=CN(N=C2N)CC3=CC=CC=C3.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C18H25N5O2.2C2H2O4/c1-21-7-9-22(10-8-21)11-12-25-18(24)16-14-23(20-17(16)19)13-15-5-3-2-4-6-15;2*3-1(4)2(5)6/h2-6,14H,7-13H2,1H3,(H2,19,20);2*(H,3,4)(H,5,6)