1-methyl-4-[1-(phenylmethyl)piperidin-4-yl]piperazin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-methyl-4-[1-(phenylmethyl)piperidin-4-yl]piperazin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-(1-benzyl-4-piperidyl)-4-methyl-piperazin-4-ium; 2-hydroxy-2-oxo-acetate CAS Name: 2-hydroxy-2-oxoacetate; 1-methyl-4-[1-(phenylmethyl)-4-piperidinyl]piperazin-1-ium IUPAC Name: 1-(1-benzylpiperidin-4-yl)-4-methylpiperazin-4-ium; 2-hydroxy-2-oxoacetate Traditional Name: 1-(1-benzyl-4-piperidyl)-4-methyl-piperazin-4-ium binoxalate Formula: C19H29N3O4 MolecularWeight: 363.45126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)[O-])O

Isomeric SMILES

C[NH+]1CCN(CC1)C2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C17H27N3.C2H2O4/c1-18-11-13-20(14-12-18)17-7-9-19(10-8-17)15-16-5-3-2-4-6-16;3-1(4)2(5)6/h2-6,17H,7-15H2,1H3;(H,3,4)(H,5,6)