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

Systemtic Name: 6,8-bis(bromanyl)-7-methyl-3,3-bis(morpholin-4-ium-4-ylmethyl)-2H-chromen-4-one dichloride Openeye Name: 6,8-dibromo-7-methyl-3,3-bis(morpholin-4-ium-4-ylmethyl)chroman-4-one dichloride CAS Name: 6,8-dibromo-7-methyl-3,3-bis(4-morpholin-4-iumylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one dichloride IUPAC Name: 6,8-dibromo-7-methyl-3,3-bis(morpholin-4-ium-4-ylmethyl)-2H-chromen-4-one dichloride Traditional Name: 6,8-dibromo-7-methyl-3,3-bis(morpholin-4-ium-4-ylmethyl)chroman-4-one dichloride Formula: C20H28Br2Cl2N2O4 MolecularWeight: 591.16132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1Br)OCC(C2=O)(C[NH+]3CCOCC3)C[NH+]4CCOCC4)Br.[Cl-].[Cl-]

Isomeric SMILES

CC1=C(C=C2C(=C1Br)OCC(C2=O)(C[NH+]3CCOCC3)C[NH+]4CCOCC4)Br.[Cl-].[Cl-]

InChI

InChI=1S/C20H26Br2N2O4.2ClH/c1-14-16(21)10-15-18(17(14)22)28-13-20(19(15)25,11-23-2-6-26-7-3-23)12-24-4-8-27-9-5-24;;/h10H,2-9,11-13H2,1H3;2*1H