6,8-bis(bromanyl)-7-methyl-3,3-bis(piperidin-1-ium-1-ylmethyl)-2H-chromen-4-one dibromide

Systemtic Name: 6,8-bis(bromanyl)-7-methyl-3,3-bis(piperidin-1-ium-1-ylmethyl)-2H-chromen-4-one dibromide Openeye Name: 6,8-dibromo-7-methyl-3,3-bis(piperidin-1-ium-1-ylmethyl)chroman-4-one dibromide CAS Name: 6,8-dibromo-7-methyl-3,3-bis(1-piperidin-1-iumylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one dibromide IUPAC Name: 6,8-dibromo-7-methyl-3,3-bis(piperidin-1-ium-1-ylmethyl)-2H-chromen-4-one dibromide Traditional Name: 6,8-dibromo-7-methyl-3,3-bis(piperidin-1-ium-1-ylmethyl)chroman-4-one dibromide Formula: C22H32Br4N2O2 MolecularWeight: 676.11768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1Br)OCC(C2=O)(C[NH+]3CCCCC3)C[NH+]4CCCCC4)Br.[Br-].[Br-]

Isomeric SMILES

CC1=C(C=C2C(=C1Br)OCC(C2=O)(C[NH+]3CCCCC3)C[NH+]4CCCCC4)Br.[Br-].[Br-]

InChI

InChI=1S/C22H30Br2N2O2.2BrH/c1-16-18(23)12-17-20(19(16)24)28-15-22(21(17)27,13-25-8-4-2-5-9-25)14-26-10-6-3-7-11-26;;/h12H,2-11,13-15H2,1H3;2*1H