3-[[(1S)-1-(2,4-dichlorophenyl)ethyl]azaniumyl]propanoate

Systemtic Name: 3-[[(1S)-1-(2,4-dichlorophenyl)ethyl]azaniumyl]propanoate Openeye Name: 3-[[(1S)-1-(2,4-dichlorophenyl)ethyl]ammonio]propanoate CAS Name: 3-[[(1S)-1-(2,4-dichlorophenyl)ethyl]ammonio]propanoate IUPAC Name: 3-[[(1S)-1-(2,4-dichlorophenyl)ethyl]azaniumyl]propanoate Traditional Name: 3-[[(1S)-1-(2,4-dichlorophenyl)ethyl]ammonio]propionate Formula: C11H13Cl2NO2 MolecularWeight: 262.13242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)Cl)Cl)[NH2+]CCC(=O)[O-]

Isomeric SMILES

C[C@@H](C1=C(C=C(C=C1)Cl)Cl)[NH2+]CCC(=O)[O-]

InChI

InChI=1S/C11H13Cl2NO2/c1-7(14-5-4-11(15)16)9-3-2-8(12)6-10(9)13/h2-3,6-7,14H,4-5H2,1H3,(H,15,16)/t7-/m0/s1