1-(2-methoxyethoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-(2-methoxyethoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 1-(2-methoxyethoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: 2-hydroxy-2-oxoacetate; 1-(2-methoxyethoxy)-3-(4-phenyl-1-piperazin-1-iumyl)-2-propanol IUPAC Name: 2-hydroxy-2-oxoacetate; 1-(2-methoxyethoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: 1-(2-methoxyethoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol binoxalate Formula: C18H28N2O7 MolecularWeight: 384.42412

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCC(C[NH+]1CCN(CC1)C2=CC=CC=C2)O.C(=O)(C(=O)[O-])O

Isomeric SMILES

COCCOCC(C[NH+]1CCN(CC1)C2=CC=CC=C2)O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C16H26N2O3.C2H2O4/c1-20-11-12-21-14-16(19)13-17-7-9-18(10-8-17)15-5-3-2-4-6-15;3-1(4)2(5)6/h2-6,16,19H,7-14H2,1H3;(H,3,4)(H,5,6)