2-[3-(2-azaniumylethoxy)-5-methoxycarbonyl-phenoxy]ethylazanium dichloride

Systemtic Name: 2-[3-(2-azaniumylethoxy)-5-methoxycarbonyl-phenoxy]ethylazanium dichloride Openeye Name: 2-[3-(2-azaniumylethoxy)-5-methoxycarbonyl-phenoxy]ethylammonium dichloride CAS Name: 2-[3-(2-ammonioethoxy)-5-methoxycarbonylphenoxy]ethylammonium dichloride IUPAC Name: 2-[3-(2-azaniumylethoxy)-5-methoxycarbonylphenoxy]ethylazanium dichloride Traditional Name: 2-[3-(2-ammonioethoxy)-5-carbomethoxy-phenoxy]ethylammonium dichloride Formula: C12H20Cl2N2O4 MolecularWeight: 327.2042

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)OCC[NH3+])OCC[NH3+].[Cl-].[Cl-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)OCC[NH3+])OCC[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C12H18N2O4.2ClH/c1-16-12(15)9-6-10(17-4-2-13)8-11(7-9)18-5-3-14;;/h6-8H,2-5,13-14H2,1H3;2*1H