2-oxidanyl-2-oxidanylidene-ethanoate; 4-phenyl-1-propyl-1,2,3,6-tetrahydropyridin-1-ium

Systemtic Name: 2-oxidanyl-2-oxidanylidene-ethanoate; 4-phenyl-1-propyl-1,2,3,6-tetrahydropyridin-1-ium Openeye Name: 2-hydroxy-2-oxo-acetate; 4-phenyl-1-propyl-1,2,3,6-tetrahydropyridin-1-ium CAS Name: 2-hydroxy-2-oxoacetate; 4-phenyl-1-propyl-1,2,3,6-tetrahydropyridin-1-ium IUPAC Name: 2-hydroxy-2-oxoacetate; 4-phenyl-1-propyl-1,2,3,6-tetrahydropyridin-1-ium Traditional Name: 4-phenyl-1-propyl-1,2,3,6-tetrahydropyridin-1-ium binoxalate Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(=CC1)C2=CC=CC=C2.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCC[NH+]1CCC(=CC1)C2=CC=CC=C2.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C14H19N.C2H2O4/c1-2-10-15-11-8-14(9-12-15)13-6-4-3-5-7-13;3-1(4)2(5)6/h3-8H,2,9-12H2,1H3;(H,3,4)(H,5,6)