3-[4-(2-azaniumylethyl)-2,6-bis(bromanyl)phenoxy]propylazanium dichloride

Systemtic Name: 3-[4-(2-azaniumylethyl)-2,6-bis(bromanyl)phenoxy]propylazanium dichloride Openeye Name: 3-[4-(2-azaniumylethyl)-2,6-dibromo-phenoxy]propylammonium dichloride CAS Name: 3-[4-(2-ammonioethyl)-2,6-dibromophenoxy]propylammonium dichloride IUPAC Name: 3-[4-(2-azaniumylethyl)-2,6-dibromophenoxy]propylazanium dichloride Traditional Name: 3-[4-(2-ammonioethyl)-2,6-dibromo-phenoxy]propylammonium dichloride Formula: C11H18Br2Cl2N2O MolecularWeight: 424.98742

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Br)OCCC[NH3+])Br)CC[NH3+].[Cl-].[Cl-]

Isomeric SMILES

C1=C(C=C(C(=C1Br)OCCC[NH3+])Br)CC[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C11H16Br2N2O.2ClH/c12-9-6-8(2-4-15)7-10(13)11(9)16-5-1-3-14;;/h6-7H,1-5,14-15H2;2*1H