1-(1-cyclohexylpiperidin-1-ium-4-yl)-4-phenyl-piperazine; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-(1-cyclohexylpiperidin-1-ium-4-yl)-4-phenyl-piperazine; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-(1-cyclohexylpiperidin-1-ium-4-yl)-4-phenyl-piperazine; 2-hydroxy-2-oxo-acetate CAS Name: 1-(1-cyclohexyl-4-piperidin-1-iumyl)-4-phenylpiperazine; 2-hydroxy-2-oxoacetate IUPAC Name: 1-(1-cyclohexylpiperidin-1-ium-4-yl)-4-phenylpiperazine; 2-hydroxy-2-oxoacetate Traditional Name: 1-(1-cyclohexylpiperidin-1-ium-4-yl)-4-phenyl-piperazine binoxalate Formula: C23H35N3O4 MolecularWeight: 417.5417

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CCC(CC1)[NH+]2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C21H33N3.C2H2O4/c1-3-7-19(8-4-1)22-13-11-21(12-14-22)24-17-15-23(16-18-24)20-9-5-2-6-10-20;3-1(4)2(5)6/h2,5-6,9-10,19,21H,1,3-4,7-8,11-18H2;(H,3,4)(H,5,6)