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

Systemtic Name: 1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]azepan-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 1-[1-(p-tolylmethyl)-4-piperidyl]azepan-1-ium CAS Name: 2-hydroxy-2-oxoacetate; 1-[1-[(4-methylphenyl)methyl]-4-piperidinyl]azepan-1-ium IUPAC Name: 2-hydroxy-2-oxoacetate; 1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]azepan-1-ium Traditional Name: 1-[1-(4-methylbenzyl)-4-piperidyl]azepan-1-ium binoxalate Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCC(CC2)[NH+]3CCCCCC3.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCC(CC2)[NH+]3CCCCCC3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H30N2.C2H2O4/c1-17-6-8-18(9-7-17)16-20-14-10-19(11-15-20)21-12-4-2-3-5-13-21;3-1(4)2(5)6/h6-9,19H,2-5,10-16H2,1H3;(H,3,4)(H,5,6)