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

Systemtic Name: 2-[[(2R)-2-acetamido-3-(3-chloranyl-4-methyl-phenyl)sulfanyl-propanoyl]amino]ethyl-diethyl-azanium Openeye Name: 2-[[(2R)-2-acetamido-3-(3-chloro-4-methyl-phenyl)sulfanyl-propanoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[(2R)-2-acetamido-3-[(3-chloro-4-methylphenyl)thio]-1-oxopropyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[(2R)-2-acetamido-3-(3-chloro-4-methylphenyl)sulfanylpropanoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[(2R)-2-acetamido-3-[(3-chloro-4-methyl-phenyl)thio]propanoyl]amino]ethyl-diethyl-ammonium Formula: C18H29ClN3O2S+ MolecularWeight: 386.95976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28ClN3O2S/c1-5-22(6-2)10-9-20-18(24)17(21-14(4)23)12-25-15-8-7-13(3)16(19)11-15/h7-8,11,17H,5-6,9-10,12H2,1-4H3,(H,20,24)(H,21,23)/p+1/t17-/m0/s1