(2S)-2-[[3-(4-chlorophenyl)-3-oxidanylidene-propyl]azaniumyl]propanoate

Systemtic Name: (2S)-2-[[3-(4-chlorophenyl)-3-oxidanylidene-propyl]azaniumyl]propanoate Openeye Name: (2S)-2-[[3-(4-chlorophenyl)-3-oxo-propyl]ammonio]propanoate CAS Name: (2S)-2-[[3-(4-chlorophenyl)-3-oxopropyl]ammonio]propanoate IUPAC Name: (2S)-2-[[3-(4-chlorophenyl)-3-oxopropyl]azaniumyl]propanoate Traditional Name: (2S)-2-[[3-(4-chlorophenyl)-3-keto-propyl]ammonio]propionate Formula: C12H14ClNO3 MolecularWeight: 255.69746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClNO3/c1-8(12(16)17)14-7-6-11(15)9-2-4-10(13)5-3-9/h2-5,8,14H,6-7H2,1H3,(H,16,17)/t8-/m0/s1