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

Systemtic Name: 1-[1-(4-methylcyclohexyl)piperidin-4-yl]azepan-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 1-[1-(4-methylcyclohexyl)-4-piperidyl]azepan-1-ium CAS Name: 2-hydroxy-2-oxoacetate; 1-[1-(4-methylcyclohexyl)-4-piperidinyl]azepan-1-ium IUPAC Name: 2-hydroxy-2-oxoacetate; 1-[1-(4-methylcyclohexyl)piperidin-4-yl]azepan-1-ium Traditional Name: 1-[1-(4-methylcyclohexyl)-4-piperidyl]azepan-1-ium binoxalate Formula: C20H36N2O4 MolecularWeight: 368.51084

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N2CCC(CC2)[NH+]3CCCCCC3.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1CCC(CC1)N2CCC(CC2)[NH+]3CCCCCC3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C18H34N2.C2H2O4/c1-16-6-8-17(9-7-16)20-14-10-18(11-15-20)19-12-4-2-3-5-13-19;3-1(4)2(5)6/h16-18H,2-15H2,1H3;(H,3,4)(H,5,6)