3-ethyl-4-(2-methylprop-2-enyl)-2,6-diphenyl-piperidin-1-ium-4-ol; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 3-ethyl-4-(2-methylprop-2-enyl)-2,6-diphenyl-piperidin-1-ium-4-ol; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 3-ethyl-4-(2-methylallyl)-2,6-diphenyl-piperidin-1-ium-4-ol; 2-hydroxy-2-oxo-acetate CAS Name: 3-ethyl-4-(2-methylprop-2-enyl)-2,6-diphenyl-4-piperidin-1-iumol; 2-hydroxy-2-oxoacetate IUPAC Name: 3-ethyl-4-(2-methylprop-2-enyl)-2,6-diphenylpiperidin-1-ium-4-ol; 2-hydroxy-2-oxoacetate Traditional Name: 3-ethyl-4-(2-methylallyl)-2,6-diphenyl-piperidin-1-ium-4-ol binoxalate Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C([NH2+]C(CC1(CC(=C)C)O)C2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCC1C([NH2+]C(CC1(CC(=C)C)O)C2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C23H29NO.C2H2O4/c1-4-20-22(19-13-9-6-10-14-19)24-21(18-11-7-5-8-12-18)16-23(20,25)15-17(2)3;3-1(4)2(5)6/h5-14,20-22,24-25H,2,4,15-16H2,1,3H3;(H,3,4)(H,5,6)