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

Systemtic Name: 1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-methyl-piperazin-4-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-[1-[(4-ethylphenyl)methyl]-4-piperidyl]-4-methyl-piperazin-4-ium; 2-hydroxy-2-oxo-acetate CAS Name: 1-[1-[(4-ethylphenyl)methyl]-4-piperidinyl]-4-methylpiperazin-4-ium; 2-hydroxy-2-oxoacetate IUPAC Name: 1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-methylpiperazin-4-ium; 2-hydroxy-2-oxoacetate Traditional Name: 1-[1-(4-ethylbenzyl)-4-piperidyl]-4-methyl-piperazin-4-ium binoxalate Formula: C21H33N3O4 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CCC(CC2)N3CC[NH+](CC3)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCC(CC2)N3CC[NH+](CC3)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H31N3.C2H2O4/c1-3-17-4-6-18(7-5-17)16-21-10-8-19(9-11-21)22-14-12-20(2)13-15-22;3-1(4)2(5)6/h4-7,19H,3,8-16H2,1-2H3;(H,3,4)(H,5,6)