2-(azepan-1-ium-1-yl)ethyl N-[2-(ethoxymethyl)phenyl]carbamate; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 2-(azepan-1-ium-1-yl)ethyl N-[2-(ethoxymethyl)phenyl]carbamate; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-(azepan-1-ium-1-yl)ethyl N-[2-(ethoxymethyl)phenyl]carbamate; 2-hydroxy-2-oxo-acetate CAS Name: N-[2-(ethoxymethyl)phenyl]carbamic acid 2-(1-azepan-1-iumyl)ethyl ester; 2-hydroxy-2-oxoacetate IUPAC Name: 2-(azepan-1-ium-1-yl)ethyl N-[2-(ethoxymethyl)phenyl]carbamate; 2-hydroxy-2-oxoacetate Traditional Name: N-[2-(ethoxymethyl)phenyl]carbamic acid 2-(azepan-1-ium-1-yl)ethyl ester binoxalate Formula: C20H30N2O7 MolecularWeight: 410.4614

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=CC=CC=C1NC(=O)OCC[NH+]2CCCCCC2.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCOCC1=CC=CC=C1NC(=O)OCC[NH+]2CCCCCC2.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C18H28N2O3.C2H2O4/c1-2-22-15-16-9-5-6-10-17(16)19-18(21)23-14-13-20-11-7-3-4-8-12-20;3-1(4)2(5)6/h5-6,9-10H,2-4,7-8,11-15H2,1H3,(H,19,21);(H,3,4)(H,5,6)