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

Systemtic Name: 6,8-bis(bromanyl)-7-methyl-3,3-bis(piperidin-1-ium-1-ylmethyl)-2H-chromen-4-one Openeye Name: 6,8-dibromo-7-methyl-3,3-bis(piperidin-1-ium-1-ylmethyl)chroman-4-one CAS Name: 6,8-dibromo-7-methyl-3,3-bis(1-piperidin-1-iumylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 6,8-dibromo-7-methyl-3,3-bis(piperidin-1-ium-1-ylmethyl)-2H-chromen-4-one Traditional Name: 6,8-dibromo-7-methyl-3,3-bis(piperidin-1-ium-1-ylmethyl)chroman-4-one Formula: C22H32Br2N2O2+2 MolecularWeight: 516.30968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30Br2N2O2/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/p+2