methyl-(phenylmethyl)-[1-(pyridin-3-ylmethyl)piperidin-4-yl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: methyl-(phenylmethyl)-[1-(pyridin-3-ylmethyl)piperidin-4-yl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: benzyl-methyl-[1-(3-pyridylmethyl)-4-piperidyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 2-hydroxy-2-oxoacetate; methyl-(phenylmethyl)-[1-(3-pyridinylmethyl)-4-piperidinyl]ammonium IUPAC Name: benzyl-methyl-[1-(pyridin-3-ylmethyl)piperidin-4-yl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: benzyl-methyl-[1-(3-pyridylmethyl)-4-piperidyl]ammonium binoxalate Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2CCN(CC2)CC3=CN=CC=C3.C(=O)(C(=O)[O-])O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)C2CCN(CC2)CC3=CN=CC=C3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H25N3.C2H2O4/c1-21(15-17-6-3-2-4-7-17)19-9-12-22(13-10-19)16-18-8-5-11-20-14-18;3-1(4)2(5)6/h2-8,11,14,19H,9-10,12-13,15-16H2,1H3;(H,3,4)(H,5,6)