methyl-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]-(phenylmethyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: methyl-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]-(phenylmethyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: benzyl-methyl-[1-[(4-nitrophenyl)methyl]-4-piperidyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 2-hydroxy-2-oxoacetate; methyl-[1-[(4-nitrophenyl)methyl]-4-piperidinyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: benzyl-methyl-[1-(4-nitrobenzyl)-4-piperidyl]ammonium binoxalate Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2.C2H2O4/c1-21(15-17-5-3-2-4-6-17)19-11-13-22(14-12-19)16-18-7-9-20(10-8-18)23(24)25;3-1(4)2(5)6/h2-10,19H,11-16H2,1H3;(H,3,4)(H,5,6)