[(2S)-1-[(2-ethyl-6-methyl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[(2-ethyl-6-methyl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(2-ethyl-6-methyl-phenyl)carbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-(2-ethyl-6-methylanilino)-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(2-ethyl-6-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(2-ethyl-6-methyl-phenyl)carbamoyl]-3-(methylthio)propyl]ammonium Formula: C14H23N2OS+ MolecularWeight: 267.41022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(CCSC)[NH3+])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)[C@H](CCSC)[NH3+])C

InChI

InChI=1S/C14H22N2OS/c1-4-11-7-5-6-10(2)13(11)16-14(17)12(15)8-9-18-3/h5-7,12H,4,8-9,15H2,1-3H3,(H,16,17)/p+1/t12-/m0/s1