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

Systemtic Name: azepan-1-yl-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: azepan-1-yl-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone; 2-hydroxy-2-oxo-acetate CAS Name: 1-azepanyl-[1-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-1-iumyl]methanone; 2-hydroxy-2-oxoacetate IUPAC Name: azepan-1-yl-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone; 2-hydroxy-2-oxoacetate Traditional Name: azepan-1-yl-[1-(2,5-dimethoxybenzyl)piperidin-1-ium-3-yl]methanone binoxalate Formula: C23H34N2O7 MolecularWeight: 450.52526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCCC(C2)C(=O)N3CCCCCC3.C(=O)(C(=O)[O-])O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCCC(C2)C(=O)N3CCCCCC3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C21H32N2O3.C2H2O4/c1-25-19-9-10-20(26-2)18(14-19)16-22-11-7-8-17(15-22)21(24)23-12-5-3-4-6-13-23;3-1(4)2(5)6/h9-10,14,17H,3-8,11-13,15-16H2,1-2H3;(H,3,4)(H,5,6)