3-[2,3-bis(3-azaniumylpropoxy)-5-carboxy-phenoxy]propylazanium trichloride

Systemtic Name: 3-[2,3-bis(3-azaniumylpropoxy)-5-carboxy-phenoxy]propylazanium trichloride Openeye Name: 3-[2,3-bis(3-azaniumylpropoxy)-5-carboxy-phenoxy]propylammonium trichloride CAS Name: 3-[2,3-bis(3-ammoniopropoxy)-5-carboxyphenoxy]propylammonium trichloride IUPAC Name: 3-[2,3-bis(3-azaniumylpropoxy)-5-carboxyphenoxy]propylazanium trichloride Traditional Name: 3-[2,3-bis(3-ammoniopropoxy)-5-carboxy-phenoxy]propylammonium trichloride Formula: C16H30Cl3N3O5 MolecularWeight: 450.7855

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1OCCC[NH3+])OCCC[NH3+])OCCC[NH3+])C(=O)O.[Cl-].[Cl-].[Cl-]

Isomeric SMILES

C1=C(C=C(C(=C1OCCC[NH3+])OCCC[NH3+])OCCC[NH3+])C(=O)O.[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C16H27N3O5.3ClH/c17-4-1-7-22-13-10-12(16(20)21)11-14(23-8-2-5-18)15(13)24-9-3-6-19;;;/h10-11H,1-9,17-19H2,(H,20,21);3*1H