azepan-1-yl-[1-[(4-methylphenyl)methyl]piperidin-1-ium-3-yl]methanone; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: azepan-1-yl-[1-[(4-methylphenyl)methyl]piperidin-1-ium-3-yl]methanone; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: azepan-1-yl-[1-(p-tolylmethyl)piperidin-1-ium-3-yl]methanone; 2-hydroxy-2-oxo-acetate CAS Name: 1-azepanyl-[1-[(4-methylphenyl)methyl]-3-piperidin-1-iumyl]methanone; 2-hydroxy-2-oxoacetate IUPAC Name: azepan-1-yl-[1-[(4-methylphenyl)methyl]piperidin-1-ium-3-yl]methanone; 2-hydroxy-2-oxoacetate Traditional Name: azepan-1-yl-[1-(4-methylbenzyl)piperidin-1-ium-3-yl]methanone binoxalate Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCCC(C2)C(=O)N3CCCCCC3.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCCC(C2)C(=O)N3CCCCCC3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C20H30N2O.C2H2O4/c1-17-8-10-18(11-9-17)15-21-12-6-7-19(16-21)20(23)22-13-4-2-3-5-14-22;3-1(4)2(5)6/h8-11,19H,2-7,12-16H2,1H3;(H,3,4)(H,5,6)