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

Systemtic Name: 4-(4-methylpiperidin-1-ium-1-yl)-1-[(3-nitrophenyl)methyl]piperidine; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 4-(4-methylpiperidin-1-ium-1-yl)-1-[(3-nitrophenyl)methyl]piperidine CAS Name: 2-hydroxy-2-oxoacetate; 4-(4-methyl-1-piperidin-1-iumyl)-1-[(3-nitrophenyl)methyl]piperidine IUPAC Name: 2-hydroxy-2-oxoacetate; 4-(4-methylpiperidin-1-ium-1-yl)-1-[(3-nitrophenyl)methyl]piperidine Traditional Name: 4-(4-methylpiperidin-1-ium-1-yl)-1-(3-nitrobenzyl)piperidine binoxalate Formula: C20H29N3O6 MolecularWeight: 407.46076

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1CC[NH+](CC1)C2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)[O-])O

InChI

InChI=1S/C18H27N3O2.C2H2O4/c1-15-5-11-20(12-6-15)17-7-9-19(10-8-17)14-16-3-2-4-18(13-16)21(22)23;3-1(4)2(5)6/h2-4,13,15,17H,5-12,14H2,1H3;(H,3,4)(H,5,6)