[1-[(4-nitrophenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-yl-methanone; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: [1-[(4-nitrophenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-yl-methanone; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; [1-[(4-nitrophenyl)methyl]piperidin-1-ium-3-yl]-(1-piperidyl)methanone CAS Name: 2-hydroxy-2-oxoacetate; [1-[(4-nitrophenyl)methyl]-3-piperidin-1-iumyl]-(1-piperidinyl)methanone IUPAC Name: 2-hydroxy-2-oxoacetate; [1-[(4-nitrophenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-ylmethanone Traditional Name: [1-(4-nitrobenzyl)piperidin-1-ium-3-yl]-piperidino-methanone binoxalate Formula: C20H27N3O7 MolecularWeight: 421.44428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O3.C2H2O4/c22-18(20-11-2-1-3-12-20)16-5-4-10-19(14-16)13-15-6-8-17(9-7-15)21(23)24;3-1(4)2(5)6/h6-9,16H,1-5,10-14H2;(H,3,4)(H,5,6)