Molecular Weight (g/mol)

505.9

Molecular Formula

C20H28ClN3O10

InChI

InChI=1S/C14H20ClN3O3.C6H8O7/c15-14(12-5-4-8-18(20)9-12)16-21-11-13(19)10-17-6-2-1-3-7-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-5,8-9,13,19H,1-3,6-7,10-11H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t13-;/m1./s1

InChIKey

XSENLDLUMVYRET-BTQNPOSSSA-N

SMILES

C1CCN(CC1)C[C@H](CON=C(C2=C[N+](=CC=C2)[O-])Cl)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

IUPAC Name

N-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]-1-oxidopyridin-1-ium-3-carboximidoyl chloride;2-hydroxypropane-1,2,3-tricarboxylic acid

Exact Mass (Da)

505.1463218

Monoisotopic Mass (Da)

505.1463218