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

Systemtic Name: 2-[[(2R)-2-acetamido-3-(4-methylphenyl)sulfanyl-propanoyl]amino]ethyl-diethyl-azanium Openeye Name: 2-[[(2R)-2-acetamido-3-(p-tolylsulfanyl)propanoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[(2R)-2-acetamido-3-[(4-methylphenyl)thio]-1-oxopropyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[(2R)-2-acetamido-3-(4-methylphenyl)sulfanylpropanoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[(2R)-2-acetamido-3-(p-tolylthio)propanoyl]amino]ethyl-diethyl-ammonium Formula: C18H30N3O2S+ MolecularWeight: 352.5147

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O2S/c1-5-21(6-2)12-11-19-18(23)17(20-15(4)22)13-24-16-9-7-14(3)8-10-16/h7-10,17H,5-6,11-13H2,1-4H3,(H,19,23)(H,20,22)/p+1/t17-/m0/s1