[3-(4-bromophenyl)-3-oxidanylidene-propyl]-(carboxymethyl)-methyl-azanium chloride

Systemtic Name: [3-(4-bromophenyl)-3-oxidanylidene-propyl]-(carboxymethyl)-methyl-azanium chloride Openeye Name: [3-(4-bromophenyl)-3-oxo-propyl]-(carboxymethyl)-methyl-ammonium chloride CAS Name: [3-(4-bromophenyl)-3-oxopropyl]-(carboxymethyl)-methylammonium chloride IUPAC Name: [3-(4-bromophenyl)-3-oxopropyl]-(carboxymethyl)-methylazanium chloride Traditional Name: [3-(4-bromophenyl)-3-keto-propyl]-(carboxymethyl)-methyl-ammonium chloride Formula: C12H15BrClNO3 MolecularWeight: 336.6094

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)C1=CC=C(C=C1)Br)CC(=O)O.[Cl-]

Isomeric SMILES

C[NH+](CCC(=O)C1=CC=C(C=C1)Br)CC(=O)O.[Cl-]

InChI

InChI=1S/C12H14BrNO3.ClH/c1-14(8-12(16)17)7-6-11(15)9-2-4-10(13)5-3-9;/h2-5H,6-8H2,1H3,(H,16,17);1H