3-[3-(3-azaniumylpropyl)-5-ethoxycarbonyl-phenyl]propylazanium dichloride

Systemtic Name: 3-[3-(3-azaniumylpropyl)-5-ethoxycarbonyl-phenyl]propylazanium dichloride Openeye Name: 3-[3-(3-azaniumylpropyl)-5-ethoxycarbonyl-phenyl]propylammonium dichloride CAS Name: 3-[3-(3-ammoniopropyl)-5-ethoxycarbonylphenyl]propylammonium dichloride IUPAC Name: 3-[3-(3-azaniumylpropyl)-5-ethoxycarbonylphenyl]propylazanium dichloride Traditional Name: 3-[3-(3-ammoniopropyl)-5-carbethoxy-phenyl]propylammonium dichloride Formula: C15H26Cl2N2O2 MolecularWeight: 337.28514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)CCC[NH3+])CCC[NH3+].[Cl-].[Cl-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)CCC[NH3+])CCC[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C15H24N2O2.2ClH/c1-2-19-15(18)14-10-12(5-3-7-16)9-13(11-14)6-4-8-17;;/h9-11H,2-8,16-17H2,1H3;2*1H