[(2S)-1-[ethyl-(3-methylphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2OS/c1-4-16(12-7-5-6-11(2)10-12)14(17)13(15)8-9-18-3/h5-7,10,13H,4,8-9,15H2,1-3H3/p+1/t13-/m0/s1