2-oxidanyl-2-oxidanylidene-ethanoate; 4-(1-phenethylpyrrolidin-1-ium-3-yl)-1,4-benzoxazin-3-one

Systemtic Name: 2-oxidanyl-2-oxidanylidene-ethanoate; 4-(1-phenethylpyrrolidin-1-ium-3-yl)-1,4-benzoxazin-3-one Openeye Name: 2-hydroxy-2-oxo-acetate; 4-(1-phenethylpyrrolidin-1-ium-3-yl)-1,4-benzoxazin-3-one CAS Name: 2-hydroxy-2-oxoacetate; 4-(1-phenethyl-3-pyrrolidin-1-iumyl)-1,4-benzoxazin-3-one IUPAC Name: 2-hydroxy-2-oxoacetate; 4-(1-phenethylpyrrolidin-1-ium-3-yl)-1,4-benzoxazin-3-one Traditional Name: 4-(1-phenethylpyrrolidin-1-ium-3-yl)-1,4-benzoxazin-3-one binoxalate Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1N2C(=O)COC3=CC=CC=C32)CCC4=CC=CC=C4.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1C[NH+](CC1N2C(=O)COC3=CC=CC=C32)CCC4=CC=CC=C4.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C20H22N2O2.C2H2O4/c23-20-15-24-19-9-5-4-8-18(19)22(20)17-11-13-21(14-17)12-10-16-6-2-1-3-7-16;3-1(4)2(5)6/h1-9,17H,10-15H2;(H,3,4)(H,5,6)