[4-oxidanylidene-4-(2,6,6-trimethylcyclohex-3-en-1-yl)butan-2-yl]-(pyridin-3-ylmethyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: [4-oxidanylidene-4-(2,6,6-trimethylcyclohex-3-en-1-yl)butan-2-yl]-(pyridin-3-ylmethyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; [1-methyl-3-oxo-3-(2,6,6-trimethylcyclohex-3-en-1-yl)propyl]-(3-pyridylmethyl)ammonium CAS Name: 2-hydroxy-2-oxoacetate; [4-oxo-4-(2,6,6-trimethyl-1-cyclohex-3-enyl)butan-2-yl]-(3-pyridinylmethyl)ammonium IUPAC Name: 2-hydroxy-2-oxoacetate; [4-oxo-4-(2,6,6-trimethylcyclohex-3-en-1-yl)butan-2-yl]-(pyridin-3-ylmethyl)azanium Traditional Name: [3-keto-1-methyl-3-(2,6,6-trimethylcyclohex-3-en-1-yl)propyl]-(3-pyridylmethyl)ammonium binoxalate Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CCC(C1C(=O)CC(C)[NH2+]CC2=CN=CC=C2)(C)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1C=CCC(C1C(=O)CC(C)[NH2+]CC2=CN=CC=C2)(C)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H28N2O.C2H2O4/c1-14-7-5-9-19(3,4)18(14)17(22)11-15(2)21-13-16-8-6-10-20-12-16;3-1(4)2(5)6/h5-8,10,12,14-15,18,21H,9,11,13H2,1-4H3;(H,3,4)(H,5,6)