2-oxidanyl-2-oxidanylidene-ethanoate; 1-[1-(4-phenylcyclohexyl)piperidin-4-yl]azepan-1-ium

Systemtic Name: 2-oxidanyl-2-oxidanylidene-ethanoate; 1-[1-(4-phenylcyclohexyl)piperidin-4-yl]azepan-1-ium Openeye Name: 2-hydroxy-2-oxo-acetate; 1-[1-(4-phenylcyclohexyl)-4-piperidyl]azepan-1-ium CAS Name: 2-hydroxy-2-oxoacetate; 1-[1-(4-phenylcyclohexyl)-4-piperidinyl]azepan-1-ium IUPAC Name: 2-hydroxy-2-oxoacetate; 1-[1-(4-phenylcyclohexyl)piperidin-4-yl]azepan-1-ium Traditional Name: 1-[1-(4-phenylcyclohexyl)-4-piperidyl]azepan-1-ium binoxalate Formula: C25H38N2O4 MolecularWeight: 430.58022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CCN(CC2)C3CCC(CC3)C4=CC=CC=C4.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CCC[NH+](CC1)C2CCN(CC2)C3CCC(CC3)C4=CC=CC=C4.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C23H36N2.C2H2O4/c1-2-7-17-24(16-6-1)23-14-18-25(19-15-23)22-12-10-21(11-13-22)20-8-4-3-5-9-20;3-1(4)2(5)6/h3-5,8-9,21-23H,1-2,6-7,10-19H2;(H,3,4)(H,5,6)