[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[(3,4,5-trimethoxyphenyl)amino]butan-2-yl]azanium

Systemtic Name: [(2S)-4-methylsulfanyl-1-oxidanylidene-1-[(3,4,5-trimethoxyphenyl)amino]butan-2-yl]azanium Openeye Name: [(1S)-3-methylsulfanyl-1-[(3,4,5-trimethoxyphenyl)carbamoyl]propyl]ammonium CAS Name: [(2S)-4-(methylthio)-1-oxo-1-(3,4,5-trimethoxyanilino)butan-2-yl]ammonium IUPAC Name: [(2S)-4-methylsulfanyl-1-oxo-1-(3,4,5-trimethoxyanilino)butan-2-yl]azanium Traditional Name: [(1S)-3-(methylthio)-1-[(3,4,5-trimethoxyphenyl)carbamoyl]propyl]ammonium Formula: C14H23N2O4S+ MolecularWeight: 315.40842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C(CCSC)[NH3+]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)[C@H](CCSC)[NH3+]

InChI

InChI=1S/C14H22N2O4S/c1-18-11-7-9(8-12(19-2)13(11)20-3)16-14(17)10(15)5-6-21-4/h7-8,10H,5-6,15H2,1-4H3,(H,16,17)/p+1/t10-/m0/s1