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

Systemtic Name: 1-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]-4-phenyl-piperazine; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 1-[1-(m-tolylmethyl)piperidin-1-ium-4-yl]-4-phenyl-piperazine CAS Name: 2-hydroxy-2-oxoacetate; 1-[1-[(3-methylphenyl)methyl]-4-piperidin-1-iumyl]-4-phenylpiperazine IUPAC Name: 2-hydroxy-2-oxoacetate; 1-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazine Traditional Name: 1-[1-(3-methylbenzyl)piperidin-1-ium-4-yl]-4-phenyl-piperazine binoxalate Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C23H31N3.C2H2O4/c1-20-6-5-7-21(18-20)19-24-12-10-23(11-13-24)26-16-14-25(15-17-26)22-8-3-2-4-9-22;3-1(4)2(5)6/h2-9,18,23H,10-17,19H2,1H3;(H,3,4)(H,5,6)