2,6-dimethyl-4-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]morpholin-4-ium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 2,6-dimethyl-4-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]morpholin-4-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2,6-dimethyl-4-[1-[(2-nitrophenyl)methyl]-4-piperidyl]morpholin-4-ium; 2-hydroxy-2-oxo-acetate CAS Name: 2,6-dimethyl-4-[1-[(2-nitrophenyl)methyl]-4-piperidinyl]morpholin-4-ium; 2-hydroxy-2-oxoacetate IUPAC Name: 2,6-dimethyl-4-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]morpholin-4-ium; 2-hydroxy-2-oxoacetate Traditional Name: 2,6-dimethyl-4-[1-(2-nitrobenzyl)-4-piperidyl]morpholin-4-ium binoxalate Formula: C20H29N3O7 MolecularWeight: 423.46016

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)C2CCN(CC2)CC3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1C[NH+](CC(O1)C)C2CCN(CC2)CC3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)[O-])O

InChI

InChI=1S/C18H27N3O3.C2H2O4/c1-14-11-20(12-15(2)24-14)17-7-9-19(10-8-17)13-16-5-3-4-6-18(16)21(22)23;3-1(4)2(5)6/h3-6,14-15,17H,7-13H2,1-2H3;(H,3,4)(H,5,6)