[(2S)-1-[(4-ethylphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[(4-ethylphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(4-ethylphenyl)carbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-(4-ethylanilino)-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-ethylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(4-ethylphenyl)carbamoyl]-3-(methylthio)propyl]ammonium Formula: C13H21N2OS+ MolecularWeight: 253.38364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(CCSC)[NH3+]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](CCSC)[NH3+]

InChI

InChI=1S/C13H20N2OS/c1-3-10-4-6-11(7-5-10)15-13(16)12(14)8-9-17-2/h4-7,12H,3,8-9,14H2,1-2H3,(H,15,16)/p+1/t12-/m0/s1