2-[[3-(4-bromophenyl)-3-oxidanylidene-propyl]-methyl-azaniumyl]ethanoate

Systemtic Name: 2-[[3-(4-bromophenyl)-3-oxidanylidene-propyl]-methyl-azaniumyl]ethanoate Openeye Name: 2-[[3-(4-bromophenyl)-3-oxo-propyl]-methyl-ammonio]acetate CAS Name: 2-[[3-(4-bromophenyl)-3-oxopropyl]-methylammonio]acetate IUPAC Name: 2-[[3-(4-bromophenyl)-3-oxopropyl]-methylazaniumyl]acetate Traditional Name: 2-[[3-(4-bromophenyl)-3-keto-propyl]-methyl-ammonio]acetate Formula: C12H14BrNO3 MolecularWeight: 300.14846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrNO3/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)