1-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)indole; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)indole; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 1-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)indole CAS Name: 2-hydroxy-2-oxoacetate; 1-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)indole IUPAC Name: 2-hydroxy-2-oxoacetate; 1-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)indole Traditional Name: 1-(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)indole binoxalate Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(=CC1)N2C=CC3=CC=CC=C32.C(=O)(C(=O)[O-])O

Isomeric SMILES

C[NH+]1CCC(=CC1)N2C=CC3=CC=CC=C32.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C14H16N2.C2H2O4/c1-15-9-7-13(8-10-15)16-11-6-12-4-2-3-5-14(12)16;3-1(4)2(5)6/h2-7,11H,8-10H2,1H3;(H,3,4)(H,5,6)