[1-[(5-bromanyl-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-yl-methanone; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: [1-[(5-bromanyl-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-yl-methanone; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: [1-[(5-bromo-2-hydroxy-phenyl)methyl]piperidin-1-ium-3-yl]-(1-piperidyl)methanone; 2-hydroxy-2-oxo-acetate CAS Name: [1-[(5-bromo-2-hydroxyphenyl)methyl]-3-piperidin-1-iumyl]-(1-piperidinyl)methanone; 2-hydroxy-2-oxoacetate IUPAC Name: [1-[(5-bromo-2-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-ylmethanone; 2-hydroxy-2-oxoacetate Traditional Name: [1-(5-bromo-2-hydroxy-benzyl)piperidin-1-ium-3-yl]-piperidino-methanone binoxalate Formula: C20H27BrN2O6 MolecularWeight: 471.34218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CCC[NH+](C2)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CCN(CC1)C(=O)C2CCC[NH+](C2)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C18H25BrN2O2.C2H2O4/c19-16-6-7-17(22)15(11-16)13-20-8-4-5-14(12-20)18(23)21-9-2-1-3-10-21;3-1(4)2(5)6/h6-7,11,14,22H,1-5,8-10,12-13H2;(H,3,4)(H,5,6)