6,8-bis(bromanyl)-3,3-bis(pyrrolidin-1-ium-1-ylmethyl)-2,4-dihydrochromen-4-ol dichloride

Systemtic Name: 6,8-bis(bromanyl)-3,3-bis(pyrrolidin-1-ium-1-ylmethyl)-2,4-dihydrochromen-4-ol dichloride Openeye Name: 6,8-dibromo-3,3-bis(pyrrolidin-1-ium-1-ylmethyl)chroman-4-ol dichloride CAS Name: 6,8-dibromo-3,3-bis(1-pyrrolidin-1-iumylmethyl)-3,4-dihydro-2H-1-benzopyran-4-ol dichloride IUPAC Name: 6,8-dibromo-3,3-bis(pyrrolidin-1-ium-1-ylmethyl)-2,4-dihydrochromen-4-ol dichloride Traditional Name: 6,8-dibromo-3,3-bis(pyrrolidin-1-ium-1-ylmethyl)chroman-4-ol dichloride Formula: C19H28Br2Cl2N2O2 MolecularWeight: 547.15182

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2(COC3=C(C=C(C=C3C2O)Br)Br)C[NH+]4CCCC4.[Cl-].[Cl-]

Isomeric SMILES

C1CC[NH+](C1)CC2(COC3=C(C=C(C=C3C2O)Br)Br)C[NH+]4CCCC4.[Cl-].[Cl-]

InChI

InChI=1S/C19H26Br2N2O2.2ClH/c20-14-9-15-17(16(21)10-14)25-13-19(18(15)24,11-22-5-1-2-6-22)12-23-7-3-4-8-23;;/h9-10,18,24H,1-8,11-13H2;2*1H