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

Systemtic Name: 1-methyl-4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperazin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 1-methyl-4-[1-(o-tolylmethyl)-4-piperidyl]piperazin-1-ium CAS Name: 2-hydroxy-2-oxoacetate; 1-methyl-4-[1-[(2-methylphenyl)methyl]-4-piperidinyl]piperazin-1-ium IUPAC Name: 2-hydroxy-2-oxoacetate; 1-methyl-4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperazin-1-ium Traditional Name: 1-methyl-4-[1-(2-methylbenzyl)-4-piperidyl]piperazin-1-ium binoxalate Formula: C20H31N3O4 MolecularWeight: 377.47784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCC(CC2)N3CC[NH+](CC3)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1=CC=CC=C1CN2CCC(CC2)N3CC[NH+](CC3)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C18H29N3.C2H2O4/c1-16-5-3-4-6-17(16)15-20-9-7-18(8-10-20)21-13-11-19(2)12-14-21;3-1(4)2(5)6/h3-6,18H,7-15H2,1-2H3;(H,3,4)(H,5,6)