azepan-1-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: azepan-1-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: azepan-1-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone; 2-hydroxy-2-oxo-acetate CAS Name: 1-azepanyl-[1-[(3,4,5-trimethoxyphenyl)methyl]-3-piperidin-1-iumyl]methanone; 2-hydroxy-2-oxoacetate IUPAC Name: azepan-1-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone; 2-hydroxy-2-oxoacetate Traditional Name: azepan-1-yl-[1-(3,4,5-trimethoxybenzyl)piperidin-1-ium-3-yl]methanone binoxalate Formula: C24H36N2O8 MolecularWeight: 480.55124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCCC(C2)C(=O)N3CCCCCC3.C(=O)(C(=O)[O-])O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCCC(C2)C(=O)N3CCCCCC3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C22H34N2O4.C2H2O4/c1-26-19-13-17(14-20(27-2)21(19)28-3)15-23-10-8-9-18(16-23)22(25)24-11-6-4-5-7-12-24;3-1(4)2(5)6/h13-14,18H,4-12,15-16H2,1-3H3;(H,3,4)(H,5,6)