trimethyl-[1-oxidanyl-1-oxidanylidene-3-[5,6,7-tris(iodanyl)-1H-indol-3-yl]propan-2-yl]azanium

Systemtic Name: trimethyl-[1-oxidanyl-1-oxidanylidene-3-[5,6,7-tris(iodanyl)-1H-indol-3-yl]propan-2-yl]azanium Openeye Name: [2-hydroxy-2-oxo-1-[(5,6,7-triiodo-1H-indol-3-yl)methyl]ethyl]-trimethyl-ammonium CAS Name: [1-hydroxy-1-oxo-3-(5,6,7-triiodo-1H-indol-3-yl)propan-2-yl]-trimethylammonium IUPAC Name: [1-hydroxy-1-oxo-3-(5,6,7-triiodo-1H-indol-3-yl)propan-2-yl]-trimethylazanium Traditional Name: [2-hydroxy-2-keto-1-[(5,6,7-triiodo-1H-indol-3-yl)methyl]ethyl]-trimethyl-ammonium Formula: C14H16I3N2O2+ MolecularWeight: 625.00245

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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/p+1