N-[3-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: N-[3-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; N-[3-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-hydroxy-2-oxoacetate; N-[3-(4-methyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-hydroxy-2-oxoacetate; N-[3-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: N-[3-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide binoxalate Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2CC[NH+](CC2)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2CC[NH+](CC2)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C13H19N3O.C2H2O4/c1-11(17)14-12-4-3-5-13(10-12)16-8-6-15(2)7-9-16;3-1(4)2(5)6/h3-5,10H,6-9H2,1-2H3,(H,14,17);(H,3,4)(H,5,6)