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

Systemtic Name: [1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-yl-methanone; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; [1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-(1-piperidyl)methanone CAS Name: 2-hydroxy-2-oxoacetate; [1-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-(1-piperidinyl)methanone IUPAC Name: 2-hydroxy-2-oxoacetate; [1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-ylmethanone Traditional Name: (1-m-anisylpiperidin-1-ium-3-yl)-piperidino-methanone binoxalate Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCCC(C2)C(=O)N3CCCCC3.C(=O)(C(=O)[O-])O

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCCC(C2)C(=O)N3CCCCC3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H28N2O2.C2H2O4/c1-23-18-9-5-7-16(13-18)14-20-10-6-8-17(15-20)19(22)21-11-3-2-4-12-21;3-1(4)2(5)6/h5,7,9,13,17H,2-4,6,8,10-12,14-15H2,1H3;(H,3,4)(H,5,6)