[4-[3-(2-carboxyethyl)-1H-imidazol-3-ium-5-yl]phenyl]azanium dichloride

Systemtic Name: [4-[3-(2-carboxyethyl)-1H-imidazol-3-ium-5-yl]phenyl]azanium dichloride Openeye Name: [4-[3-(2-carboxyethyl)-1H-imidazol-3-ium-5-yl]phenyl]ammonium dichloride CAS Name: [4-[3-(2-carboxyethyl)-1H-imidazol-3-ium-5-yl]phenyl]ammonium dichloride IUPAC Name: [4-[3-(2-carboxyethyl)-1H-imidazol-3-ium-5-yl]phenyl]azanium dichloride Traditional Name: [4-[3-(2-carboxyethyl)-1H-imidazol-3-ium-5-yl]phenyl]ammonium dichloride Formula: C12H15Cl2N3O2 MolecularWeight: 304.1724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C[N+](=CN2)CCC(=O)O)[NH3+].[Cl-].[Cl-]

Isomeric SMILES

C1=CC(=CC=C1C2=C[N+](=CN2)CCC(=O)O)[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C12H13N3O2.2ClH/c13-10-3-1-9(2-4-10)11-7-15(8-14-11)6-5-12(16)17;;/h1-4,7-8H,5-6,13H2,(H,16,17);2*1H