2-(trimethylazaniumyl)-3-[5,6,7-tris(iodanyl)-1H-indol-3-yl]propanoate

Systemtic Name: 2-(trimethylazaniumyl)-3-[5,6,7-tris(iodanyl)-1H-indol-3-yl]propanoate Openeye Name: 3-(5,6,7-triiodo-1H-indol-3-yl)-2-(trimethylammonio)propanoate CAS Name: 3-(5,6,7-triiodo-1H-indol-3-yl)-2-(trimethylammonio)propanoate IUPAC Name: 3-(5,6,7-triiodo-1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate Traditional Name: 3-(5,6,7-triiodo-1H-indol-3-yl)-2-(trimethylammonio)propionate Formula: C14H15I3N2O2 MolecularWeight: 623.99451

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(CC1=CNC2=C(C(=C(C=C12)I)I)I)C(=O)[O-]

Isomeric SMILES

C[N+](C)(C)C(CC1=CNC2=C(C(=C(C=C12)I)I)I)C(=O)[O-]

InChI

InChI=1S/C14H15I3N2O2/c1-19(2,3)10(14(20)21)4-7-6-18-13-8(7)5-9(15)11(16)12(13)17/h5-6,10,18H,4H2,1-3H3