3-[[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]carbonylamino]propyl-trimethyl-azanium iodide

Systemtic Name: 3-[[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]carbonylamino]propyl-trimethyl-azanium iodide Openeye Name: 3-[(5,7-dihydroxy-4-oxo-chromene-2-carbonyl)amino]propyl-trimethyl-ammonium iodide CAS Name: 3-[[(5,7-dihydroxy-4-oxo-1-benzopyran-2-yl)-oxomethyl]amino]propyl-trimethylammonium iodide IUPAC Name: 3-[(5,7-dihydroxy-4-oxochromene-2-carbonyl)amino]propyl-trimethylazanium iodide Traditional Name: 3-[(5,7-dihydroxy-4-keto-chromene-2-carbonyl)amino]propyl-trimethyl-ammonium iodide Formula: C16H21IN2O5 MolecularWeight: 448.25281

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCNC(=O)C1=CC(=O)C2=C(C=C(C=C2O1)O)O.[I-]

Isomeric SMILES

C[N+](C)(C)CCCNC(=O)C1=CC(=O)C2=C(C=C(C=C2O1)O)O.[I-]

InChI

InChI=1S/C16H20N2O5.HI/c1-18(2,3)6-4-5-17-16(22)14-9-12(21)15-11(20)7-10(19)8-13(15)23-14;/h7-9H,4-6H2,1-3H3,(H2-,17,19,20,21,22);1H