2-azaniumylethyl-(4-carboxyphenyl)azanium dichloride

Systemtic Name: 2-azaniumylethyl-(4-carboxyphenyl)azanium dichloride Openeye Name: 2-azaniumylethyl-(4-carboxyphenyl)ammonium dichloride CAS Name: 2-ammonioethyl-(4-carboxyphenyl)ammonium dichloride IUPAC Name: 2-azaniumylethyl-(4-carboxyphenyl)azanium dichloride Traditional Name: 2-ammonioethyl-(4-carboxyphenyl)ammonium dichloride Formula: C9H14Cl2N2O2 MolecularWeight: 253.12566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)[NH2+]CC[NH3+].[Cl-].[Cl-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)[NH2+]CC[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C9H12N2O2.2ClH/c10-5-6-11-8-3-1-7(2-4-8)9(12)13;;/h1-4,11H,5-6,10H2,(H,12,13);2*1H