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

Systemtic Name: 6-chloranyl-2-methyl-4-(2-piperidin-1-ium-1-ylpropyl)-1,4-benzoxazin-3-one; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 6-chloro-2-methyl-4-(2-piperidin-1-ium-1-ylpropyl)-1,4-benzoxazin-3-one; 2-hydroxy-2-oxo-acetate CAS Name: 6-chloro-2-methyl-4-[2-(1-piperidin-1-iumyl)propyl]-1,4-benzoxazin-3-one; 2-hydroxy-2-oxoacetate IUPAC Name: 6-chloro-2-methyl-4-(2-piperidin-1-ium-1-ylpropyl)-1,4-benzoxazin-3-one; 2-hydroxy-2-oxoacetate Traditional Name: 6-chloro-2-methyl-4-(2-piperidin-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:

CC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(C)[NH+]3CCCCC3.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(C)[NH+]3CCCCC3.C(=O)(C(=O)[O-])O

InChI

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