6-chloranyl-2-ethyl-4-(2-pyrrolidin-1-ium-1-ylpropyl)-1,4-benzoxazin-3-one; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 6-chloranyl-2-ethyl-4-(2-pyrrolidin-1-ium-1-ylpropyl)-1,4-benzoxazin-3-one; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 6-chloro-2-ethyl-4-(2-pyrrolidin-1-ium-1-ylpropyl)-1,4-benzoxazin-3-one; 2-hydroxy-2-oxo-acetate CAS Name: 6-chloro-2-ethyl-4-[2-(1-pyrrolidin-1-iumyl)propyl]-1,4-benzoxazin-3-one; 2-hydroxy-2-oxoacetate IUPAC Name: 6-chloro-2-ethyl-4-(2-pyrrolidin-1-ium-1-ylpropyl)-1,4-benzoxazin-3-one; 2-hydroxy-2-oxoacetate Traditional Name: 6-chloro-2-ethyl-4-(2-pyrrolidin-1-ium-1-ylpropyl)-1,4-benzoxazin-3-one binoxalate Formula: C19H25ClN2O6 MolecularWeight: 412.8646

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(C)[NH+]3CCCC3.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(C)[NH+]3CCCC3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C17H23ClN2O2.C2H2O4/c1-3-15-17(21)20(11-12(2)19-8-4-5-9-19)14-10-13(18)6-7-16(14)22-15;3-1(4)2(5)6/h6-7,10,12,15H,3-5,8-9,11H2,1-2H3;(H,3,4)(H,5,6)