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

Systemtic Name: 2-[[(2S)-2-acetamido-3-(4-methoxyphenyl)sulfanyl-propanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(2S)-2-acetamido-3-(4-methoxyphenyl)sulfanyl-propanoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2S)-2-acetamido-3-[(4-methoxyphenyl)thio]-1-oxopropyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(2S)-2-acetamido-3-(4-methoxyphenyl)sulfanylpropanoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(2S)-2-acetamido-3-[(4-methoxyphenyl)thio]propanoyl]amino]ethyl-dimethyl-ammonium Formula: C16H26N3O3S+ MolecularWeight: 340.46094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OC)C(=O)NCC[NH+](C)C

InChI

InChI=1S/C16H25N3O3S/c1-12(20)18-15(16(21)17-9-10-19(2)3)11-23-14-7-5-13(22-4)6-8-14/h5-8,15H,9-11H2,1-4H3,(H,17,21)(H,18,20)/p+1/t15-/m1/s1