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

Systemtic Name: azepan-1-yl-[1-(furan-2-ylmethyl)piperidin-1-ium-3-yl]methanone; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: azepan-1-yl-[1-(2-furylmethyl)piperidin-1-ium-3-yl]methanone; 2-hydroxy-2-oxo-acetate CAS Name: 1-azepanyl-[1-(2-furanylmethyl)-3-piperidin-1-iumyl]methanone; 2-hydroxy-2-oxoacetate IUPAC Name: azepan-1-yl-[1-(furan-2-ylmethyl)piperidin-1-ium-3-yl]methanone; 2-hydroxy-2-oxoacetate Traditional Name: azepan-1-yl-[1-(2-furfuryl)piperidin-1-ium-3-yl]methanone binoxalate Formula: C19H28N2O6 MolecularWeight: 380.43542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCC[NH+](C2)CC3=CC=CO3.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCC[NH+](C2)CC3=CC=CO3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C17H26N2O2.C2H2O4/c20-17(19-10-3-1-2-4-11-19)15-7-5-9-18(13-15)14-16-8-6-12-21-16;3-1(4)2(5)6/h6,8,12,15H,1-5,7,9-11,13-14H2;(H,3,4)(H,5,6)