2-[[(2S)-2-acetamido-3-(4-chlorophenyl)sulfanyl-propanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(2S)-2-acetamido-3-(4-chlorophenyl)sulfanyl-propanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(2S)-2-acetamido-3-(4-chlorophenyl)sulfanyl-propanoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2S)-2-acetamido-3-[(4-chlorophenyl)thio]-1-oxopropyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(2S)-2-acetamido-3-(4-chlorophenyl)sulfanylpropanoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(2S)-2-acetamido-3-[(4-chlorophenyl)thio]propanoyl]amino]ethyl-dimethyl-ammonium Formula: C15H23ClN3O2S+ MolecularWeight: 344.88002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)Cl)C(=O)NCC[NH+](C)C

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)Cl)C(=O)NCC[NH+](C)C

InChI

InChI=1S/C15H22ClN3O2S/c1-11(20)18-14(15(21)17-8-9-19(2)3)10-22-13-6-4-12(16)5-7-13/h4-7,14H,8-10H2,1-3H3,(H,17,21)(H,18,20)/p+1/t14-/m1/s1