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

Systemtic Name: 2-[[(2S)-2-acetamido-3-(4-propan-2-ylphenyl)sulfanyl-propanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(2S)-2-acetamido-3-(4-isopropylphenyl)sulfanyl-propanoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2S)-2-acetamido-1-oxo-3-[(4-propan-2-ylphenyl)thio]propyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(2S)-2-acetamido-3-(4-propan-2-ylphenyl)sulfanylpropanoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(2S)-2-acetamido-3-(p-cumenylthio)propanoyl]amino]ethyl-dimethyl-ammonium Formula: C18H30N3O2S+ MolecularWeight: 352.5147

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O2S/c1-13(2)15-6-8-16(9-7-15)24-12-17(20-14(3)22)18(23)19-10-11-21(4)5/h6-9,13,17H,10-12H2,1-5H3,(H,19,23)(H,20,22)/p+1/t17-/m1/s1