2-oxidanyl-2-oxidanylidene-ethanoate; 1,2,5-trimethyl-N-phenyl-4-prop-2-enyl-piperidin-1-ium-4-amine

Systemtic Name: 2-oxidanyl-2-oxidanylidene-ethanoate; 1,2,5-trimethyl-N-phenyl-4-prop-2-enyl-piperidin-1-ium-4-amine Openeye Name: 4-allyl-1,2,5-trimethyl-N-phenyl-piperidin-1-ium-4-amine; 2-hydroxy-2-oxo-acetate CAS Name: 2-hydroxy-2-oxoacetate; 1,2,5-trimethyl-N-phenyl-4-prop-2-enyl-4-piperidin-1-iumamine IUPAC Name: 2-hydroxy-2-oxoacetate; 1,2,5-trimethyl-N-phenyl-4-prop-2-enylpiperidin-1-ium-4-amine Traditional Name: (4-allyl-1,2,5-trimethyl-piperidin-1-ium-4-yl)-phenyl-amine binoxalate Formula: C19H28N2O4 MolecularWeight: 348.43662

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C[NH+]1C)C)(CC=C)NC2=CC=CC=C2.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1CC(C(C[NH+]1C)C)(CC=C)NC2=CC=CC=C2.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C17H26N2.C2H2O4/c1-5-11-17(18-16-9-7-6-8-10-16)12-15(3)19(4)13-14(17)2;3-1(4)2(5)6/h5-10,14-15,18H,1,11-13H2,2-4H3;(H,3,4)(H,5,6)