1-[1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-4-methyl-piperidine; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-[1-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-4-methyl-piperidine; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-[1-[(5-bromo-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-4-methyl-piperidine; 2-hydroxy-2-oxo-acetate CAS Name: 1-[1-[(5-bromo-2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-4-methylpiperidine; 2-hydroxy-2-oxoacetate IUPAC Name: 1-[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-methylpiperidine; 2-hydroxy-2-oxoacetate Traditional Name: 1-[1-(5-bromo-2-methoxy-benzyl)piperidin-1-ium-4-yl]-4-methyl-piperidine binoxalate Formula: C21H31BrN2O5 MolecularWeight: 471.38524

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)OC.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1CCN(CC1)C2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)OC.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H29BrN2O.C2H2O4/c1-15-5-11-22(12-6-15)18-7-9-21(10-8-18)14-16-13-17(20)3-4-19(16)23-2;3-1(4)2(5)6/h3-4,13,15,18H,5-12,14H2,1-2H3;(H,3,4)(H,5,6)