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

Systemtic Name: 6,8-bis(iodanyl)-3-methyl-3-(piperidin-1-ium-1-ylmethyl)-2H-chromen-4-one bromide Openeye Name: 6,8-diiodo-3-methyl-3-(piperidin-1-ium-1-ylmethyl)chroman-4-one bromide CAS Name: 6,8-diiodo-3-methyl-3-(1-piperidin-1-iumylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one bromide IUPAC Name: 6,8-diiodo-3-methyl-3-(piperidin-1-ium-1-ylmethyl)-2H-chromen-4-one bromide Traditional Name: 6,8-diiodo-3-methyl-3-(piperidin-1-ium-1-ylmethyl)chroman-4-one bromide Formula: C16H20BrI2NO2 MolecularWeight: 592.04844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19I2NO2.BrH/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