6,8-bis(bromanyl)-7-methyl-3,3-bis[(3-methylpiperidin-1-ium-1-yl)methyl]-2H-chromen-4-one dibromide

Systemtic Name: 6,8-bis(bromanyl)-7-methyl-3,3-bis[(3-methylpiperidin-1-ium-1-yl)methyl]-2H-chromen-4-one dibromide Openeye Name: 6,8-dibromo-7-methyl-3,3-bis[(3-methylpiperidin-1-ium-1-yl)methyl]chroman-4-one dibromide CAS Name: 6,8-dibromo-7-methyl-3,3-bis[(3-methyl-1-piperidin-1-iumyl)methyl]-3,4-dihydro-2H-1-benzopyran-4-one dibromide IUPAC Name: 6,8-dibromo-7-methyl-3,3-bis[(3-methylpiperidin-1-ium-1-yl)methyl]-2H-chromen-4-one dibromide Traditional Name: 6,8-dibromo-7-methyl-3,3-bis[(3-methylpiperidin-1-ium-1-yl)methyl]chroman-4-one dibromide Formula: C24H36Br4N2O2 MolecularWeight: 704.17084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2(COC3=C(C(=C(C=C3C2=O)Br)C)Br)C[NH+]4CCCC(C4)C.[Br-].[Br-]

Isomeric SMILES

CC1CCC[NH+](C1)CC2(COC3=C(C(=C(C=C3C2=O)Br)C)Br)C[NH+]4CCCC(C4)C.[Br-].[Br-]

InChI

InChI=1S/C24H34Br2N2O2.2BrH/c1-16-6-4-8-27(11-16)13-24(14-28-9-5-7-17(2)12-28)15-30-22-19(23(24)29)10-20(25)18(3)21(22)26;;/h10,16-17H,4-9,11-15H2,1-3H3;2*1H