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

Systemtic Name: [4-oxidanylidene-4-(2,6,6-trimethylcyclohex-3-en-1-yl)butan-2-yl]-(phenylmethyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: benzyl-[1-methyl-3-oxo-3-(2,6,6-trimethylcyclohex-3-en-1-yl)propyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 2-hydroxy-2-oxoacetate; [4-oxo-4-(2,6,6-trimethyl-1-cyclohex-3-enyl)butan-2-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[4-oxo-4-(2,6,6-trimethylcyclohex-3-en-1-yl)butan-2-yl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: benzyl-[3-keto-1-methyl-3-(2,6,6-trimethylcyclohex-3-en-1-yl)propyl]ammonium binoxalate Formula: C22H31NO5 MolecularWeight: 389.48524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO.C2H2O4/c1-15-9-8-12-20(3,4)19(15)18(22)13-16(2)21-14-17-10-6-5-7-11-17;3-1(4)2(5)6/h5-11,15-16,19,21H,12-14H2,1-4H3;(H,3,4)(H,5,6)