2-[[(2R)-2-acetamido-3-(4-chlorophenyl)sulfanyl-propanoyl]amino]ethyl-diethyl-azanium

Systemtic Name: 2-[[(2R)-2-acetamido-3-(4-chlorophenyl)sulfanyl-propanoyl]amino]ethyl-diethyl-azanium Openeye Name: 2-[[(2R)-2-acetamido-3-(4-chlorophenyl)sulfanyl-propanoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[(2R)-2-acetamido-3-[(4-chlorophenyl)thio]-1-oxopropyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[(2R)-2-acetamido-3-(4-chlorophenyl)sulfanylpropanoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[(2R)-2-acetamido-3-[(4-chlorophenyl)thio]propanoyl]amino]ethyl-diethyl-ammonium Formula: C17H27ClN3O2S+ MolecularWeight: 372.93318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[NH+](CC)CCNC(=O)[C@H](CSC1=CC=C(C=C1)Cl)NC(=O)C

InChI

InChI=1S/C17H26ClN3O2S/c1-4-21(5-2)11-10-19-17(23)16(20-13(3)22)12-24-15-8-6-14(18)7-9-15/h6-9,16H,4-5,10-12H2,1-3H3,(H,19,23)(H,20,22)/p+1/t16-/m0/s1