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

Systemtic Name: 2-[[(2S)-2-acetamido-3-(4-methylphenyl)sulfanyl-propanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(2S)-2-acetamido-3-(p-tolylsulfanyl)propanoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2S)-2-acetamido-3-[(4-methylphenyl)thio]-1-oxopropyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(2S)-2-acetamido-3-(4-methylphenyl)sulfanylpropanoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(2S)-2-acetamido-3-(p-tolylthio)propanoyl]amino]ethyl-dimethyl-ammonium Formula: C16H26N3O2S+ MolecularWeight: 324.46154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(C(=O)NCC[NH+](C)C)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC[C@H](C(=O)NCC[NH+](C)C)NC(=O)C

InChI

InChI=1S/C16H25N3O2S/c1-12-5-7-14(8-6-12)22-11-15(18-13(2)20)16(21)17-9-10-19(3)4/h5-8,15H,9-11H2,1-4H3,(H,17,21)(H,18,20)/p+1/t15-/m1/s1