1-[2-[2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]ethyl]piperidin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-[2-[2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]ethyl]piperidin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-[2-[2,2-dimethyl-4-(o-tolyl)tetrahydropyran-4-yl]ethyl]piperidin-1-ium; 2-hydroxy-2-oxo-acetate CAS Name: 1-[2-[2,2-dimethyl-4-(2-methylphenyl)-4-oxanyl]ethyl]piperidin-1-ium; 2-hydroxy-2-oxoacetate IUPAC Name: 1-[2-[2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]ethyl]piperidin-1-ium; 2-hydroxy-2-oxoacetate Traditional Name: 1-[2-[2,2-dimethyl-4-(o-tolyl)tetrahydropyran-4-yl]ethyl]piperidin-1-ium binoxalate Formula: C23H35NO5 MolecularWeight: 405.5277

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2(CCOC(C2)(C)C)CC[NH+]3CCCCC3.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1=CC=CC=C1C2(CCOC(C2)(C)C)CC[NH+]3CCCCC3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C21H33NO.C2H2O4/c1-18-9-5-6-10-19(18)21(12-16-23-20(2,3)17-21)11-15-22-13-7-4-8-14-22;3-1(4)2(5)6/h5-6,9-10H,4,7-8,11-17H2,1-3H3;(H,3,4)(H,5,6)