6,8-bis(iodanyl)-3-methyl-3-(piperidin-1-ium-1-ylmethyl)-2H-chromen-4-one chloride

Systemtic Name: 6,8-bis(iodanyl)-3-methyl-3-(piperidin-1-ium-1-ylmethyl)-2H-chromen-4-one chloride Openeye Name: 6,8-diiodo-3-methyl-3-(piperidin-1-ium-1-ylmethyl)chroman-4-one chloride CAS Name: 6,8-diiodo-3-methyl-3-(1-piperidin-1-iumylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one chloride IUPAC Name: 6,8-diiodo-3-methyl-3-(piperidin-1-ium-1-ylmethyl)-2H-chromen-4-one chloride Traditional Name: 6,8-diiodo-3-methyl-3-(piperidin-1-ium-1-ylmethyl)chroman-4-one chloride Formula: C16H20ClI2NO2 MolecularWeight: 547.59744

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2C1=O)I)I)C[NH+]3CCCCC3.[Cl-]

Isomeric SMILES

CC1(COC2=C(C=C(C=C2C1=O)I)I)C[NH+]3CCCCC3.[Cl-]

InChI

InChI=1S/C16H19I2NO2.ClH/c1-16(9-19-5-3-2-4-6-19)10-21-14-12(15(16)20)7-11(17)8-13(14)18;/h7-8H,2-6,9-10H2,1H3;1H