[1-[(2-methylphenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-yl-methanone; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: [1-[(2-methylphenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-yl-methanone; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; [1-(o-tolylmethyl)piperidin-1-ium-3-yl]-(1-piperidyl)methanone CAS Name: 2-hydroxy-2-oxoacetate; [1-[(2-methylphenyl)methyl]-3-piperidin-1-iumyl]-(1-piperidinyl)methanone IUPAC Name: 2-hydroxy-2-oxoacetate; [1-[(2-methylphenyl)methyl]piperidin-1-ium-3-yl]-piperidin-1-ylmethanone Traditional Name: [1-(2-methylbenzyl)piperidin-1-ium-3-yl]-piperidino-methanone binoxalate Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCCC(C2)C(=O)N3CCCCC3.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCCC(C2)C(=O)N3CCCCC3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H28N2O.C2H2O4/c1-16-8-3-4-9-17(16)14-20-11-7-10-18(15-20)19(22)21-12-5-2-6-13-21;3-1(4)2(5)6/h3-4,8-9,18H,2,5-7,10-15H2,1H3;(H,3,4)(H,5,6)