[1-[(5-bromanyl-2-oxidanyl-phenyl)methyl]piperidin-4-yl]-ethyl-(phenylmethyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: [1-[(5-bromanyl-2-oxidanyl-phenyl)methyl]piperidin-4-yl]-ethyl-(phenylmethyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: benzyl-[1-[(5-bromo-2-hydroxy-phenyl)methyl]-4-piperidyl]-ethyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: [1-[(5-bromo-2-hydroxyphenyl)methyl]-4-piperidinyl]-ethyl-(phenylmethyl)ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: benzyl-[1-[(5-bromo-2-hydroxyphenyl)methyl]piperidin-4-yl]-ethylazanium; 2-hydroxy-2-oxoacetate Traditional Name: benzyl-[1-(5-bromo-2-hydroxy-benzyl)-4-piperidyl]-ethyl-ammonium binoxalate Formula: C23H29BrN2O5 MolecularWeight: 493.39076

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)C2CCN(CC2)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)C2CCN(CC2)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C21H27BrN2O.C2H2O4/c1-2-24(15-17-6-4-3-5-7-17)20-10-12-23(13-11-20)16-18-14-19(22)8-9-21(18)25;3-1(4)2(5)6/h3-9,14,20,25H,2,10-13,15-16H2,1H3;(H,3,4)(H,5,6)