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

Systemtic Name: azepan-1-yl-[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: azepan-1-yl-[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone; 2-hydroxy-2-oxo-acetate CAS Name: 1-azepanyl-[1-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumyl]methanone; 2-hydroxy-2-oxoacetate IUPAC Name: azepan-1-yl-[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone; 2-hydroxy-2-oxoacetate Traditional Name: azepan-1-yl-(1-m-anisylpiperidin-1-ium-3-yl)methanone binoxalate Formula: C22H32N2O6 MolecularWeight: 420.49928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O2.C2H2O4/c1-24-19-10-6-8-17(14-19)15-21-11-7-9-18(16-21)20(23)22-12-4-2-3-5-13-22;3-1(4)2(5)6/h6,8,10,14,18H,2-5,7,9,11-13,15-16H2,1H3;(H,3,4)(H,5,6)