1-phenylpiperazin-4-ium; 2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate

Systemtic Name: 1-phenylpiperazin-4-ium; 2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate Openeye Name: 1-phenylpiperazin-4-ium; 2,3,4-trihydroxy-4-oxo-butanoate CAS Name: 1-phenylpiperazin-4-ium; 2,3,4-trihydroxy-4-oxobutanoate IUPAC Name: 1-phenylpiperazin-4-ium; 2,3,4-trihydroxy-4-oxobutanoate Traditional Name: 1-phenylpiperazin-4-ium; 2,3,4-trihydroxy-4-keto-butyrate Formula: C14H20N2O6 MolecularWeight: 312.3184

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC=CC=C2.C(C(C(=O)[O-])O)(C(=O)O)O

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC=CC=C2.C(C(C(=O)[O-])O)(C(=O)O)O

InChI

InChI=1S/C10H14N2.C4H6O6/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;5-1(3(7)8)2(6)4(9)10/h1-5,11H,6-9H2;1-2,5-6H,(H,7,8)(H,9,10)