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

Systemtic Name: 1-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]piperazin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 1-methyl-4-[1-(m-tolylmethyl)-4-piperidyl]piperazin-1-ium CAS Name: 2-hydroxy-2-oxoacetate; 1-methyl-4-[1-[(3-methylphenyl)methyl]-4-piperidinyl]piperazin-1-ium IUPAC Name: 2-hydroxy-2-oxoacetate; 1-methyl-4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]piperazin-1-ium Traditional Name: 1-methyl-4-[1-(3-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=C1)CN2CCC(CC2)N3CC[NH+](CC3)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCC(CC2)N3CC[NH+](CC3)C.C(=O)(C(=O)[O-])O

InChI

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