[4-(carboxymethyl)phenyl]-bis(2-chloroethyl)azanium chloride

Systemtic Name: [4-(carboxymethyl)phenyl]-bis(2-chloroethyl)azanium chloride Openeye Name: [4-(carboxymethyl)phenyl]-bis(2-chloroethyl)ammonium chloride CAS Name: [4-(carboxymethyl)phenyl]-bis(2-chloroethyl)ammonium chloride IUPAC Name: [4-(carboxymethyl)phenyl]-bis(2-chloroethyl)azanium chloride Traditional Name: [4-(carboxymethyl)phenyl]-bis(2-chloroethyl)ammonium chloride Formula: C12H16Cl3NO2 MolecularWeight: 312.61994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)[NH+](CCCl)CCCl.[Cl-]

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)[NH+](CCCl)CCCl.[Cl-]

InChI

InChI=1S/C12H15Cl2NO2.ClH/c13-5-7-15(8-6-14)11-3-1-10(2-4-11)9-12(16)17;/h1-4H,5-9H2,(H,16,17);1H