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

Systemtic Name: azepan-1-yl-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: azepan-1-yl-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone; 2-hydroxy-2-oxo-acetate CAS Name: 1-azepanyl-[1-[(2-ethoxyphenyl)methyl]-3-piperidin-1-iumyl]methanone; 2-hydroxy-2-oxoacetate IUPAC Name: azepan-1-yl-[1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone; 2-hydroxy-2-oxoacetate Traditional Name: azepan-1-yl-[1-(2-ethoxybenzyl)piperidin-1-ium-3-yl]methanone binoxalate Formula: C23H34N2O6 MolecularWeight: 434.52586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCCC(C2)C(=O)N3CCCCCC3.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCCC(C2)C(=O)N3CCCCCC3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C21H32N2O2.C2H2O4/c1-2-25-20-12-6-5-10-18(20)16-22-13-9-11-19(17-22)21(24)23-14-7-3-4-8-15-23;3-1(4)2(5)6/h5-6,10,12,19H,2-4,7-9,11,13-17H2,1H3;(H,3,4)(H,5,6)