MOLI000431

Molecular Formula: C₂₀H₃₈GdN₅O₆⁺⁶

InChI: InChI=1/C20H36N5O6.Gd/c1-21(2)17(26)13-24(15-19(28)29)9-5-23(6-10-24)7-11-25(12-8-23,16-20(30)31)14-18(27)22(3)4;/h5-16H2,1-4H3;/q+1;+3/p+2/fC20H38N5O6.Gd/h28,30H;/q+3;m

InChIKey: InChIKey=SXOKHCNRSPXKKH-DJELYCBFCH
SMILES: CN(C)C(=O)C[N+]1(CC[N+]2(CC1)CC[N+](CC2)(CC(=O)N(C)C)CC(=O)O)CC(=O)O.[Gd+3]

Names:
    MOLI000431
    2-[9-(carboxymethyl)-3,9-bis(dimethylcarbamoylmethyl)-3,6,9-triazoniaspiro[5.5]undecan-3-yl]acetic acid; gadolinium(+3) cation

Registries:
    PubChem CID 450036
    PubChem ID 420