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

Systemtic Name: 3-[5,6-bis(iodanyl)-1H-indol-3-yl]-2-(trimethylazaniumyl)propanoate Openeye Name: 3-(5,6-diiodo-1H-indol-3-yl)-2-(trimethylammonio)propanoate CAS Name: 3-(5,6-diiodo-1H-indol-3-yl)-2-(trimethylammonio)propanoate IUPAC Name: 3-(5,6-diiodo-1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate Traditional Name: 3-(5,6-diiodo-1H-indol-3-yl)-2-(trimethylammonio)propionate Formula: C14H16I2N2O2 MolecularWeight: 498.09798

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(CC1=CNC2=CC(=C(C=C21)I)I)C(=O)[O-]

Isomeric SMILES

C[N+](C)(C)C(CC1=CNC2=CC(=C(C=C21)I)I)C(=O)[O-]

InChI

InChI=1S/C14H16I2N2O2/c1-18(2,3)13(14(19)20)4-8-7-17-12-6-11(16)10(15)5-9(8)12/h5-7,13,17H,4H2,1-3H3