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

Systemtic Name: 6,8-bis(bromanyl)-3,3-bis(piperidin-1-ium-1-ylmethyl)-2H-chromen-4-one dichloride Openeye Name: 6,8-dibromo-3,3-bis(piperidin-1-ium-1-ylmethyl)chroman-4-one dichloride CAS Name: 6,8-dibromo-3,3-bis(1-piperidin-1-iumylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one dichloride IUPAC Name: 6,8-dibromo-3,3-bis(piperidin-1-ium-1-ylmethyl)-2H-chromen-4-one dichloride Traditional Name: 6,8-dibromo-3,3-bis(piperidin-1-ium-1-ylmethyl)chroman-4-one dichloride Formula: C21H30Br2Cl2N2O2 MolecularWeight: 573.1891

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2(COC3=C(C=C(C=C3C2=O)Br)Br)C[NH+]4CCCCC4.[Cl-].[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CC2(COC3=C(C=C(C=C3C2=O)Br)Br)C[NH+]4CCCCC4.[Cl-].[Cl-]

InChI

InChI=1S/C21H28Br2N2O2.2ClH/c22-16-11-17-19(18(23)12-16)27-15-21(20(17)26,13-24-7-3-1-4-8-24)14-25-9-5-2-6-10-25;;/h11-12H,1-10,13-15H2;2*1H