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

Systemtic Name: 3-[6,7-bis(iodanyl)-1H-indol-3-yl]-2-(trimethylazaniumyl)propanoate Openeye Name: 3-(6,7-diiodo-1H-indol-3-yl)-2-(trimethylammonio)propanoate CAS Name: 3-(6,7-diiodo-1H-indol-3-yl)-2-(trimethylammonio)propanoate IUPAC Name: 3-(6,7-diiodo-1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate Traditional Name: 3-(6,7-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=C1C=CC(=C2I)I)C(=O)[O-]

Isomeric SMILES

C[N+](C)(C)C(CC1=CNC2=C1C=CC(=C2I)I)C(=O)[O-]

InChI

InChI=1S/C14H16I2N2O2/c1-18(2,3)11(14(19)20)6-8-7-17-13-9(8)4-5-10(15)12(13)16/h4-5,7,11,17H,6H2,1-3H3