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

Systemtic Name: [(2S)-1-[ethyl(phenyl)amino]-4-methylsulfanyl-butan-2-yl]azanium Openeye Name: [(1S)-1-[(N-ethylanilino)methyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-(N-ethylanilino)-4-(methylthio)butan-2-yl]ammonium IUPAC Name: [(2S)-1-(N-ethylanilino)-4-methylsulfanylbutan-2-yl]azanium Traditional Name: [(1S)-1-[(N-ethylanilino)methyl]-3-(methylthio)propyl]ammonium Formula: C13H23N2S+ MolecularWeight: 239.40012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2S/c1-3-15(11-12(14)9-10-16-2)13-7-5-4-6-8-13/h4-8,12H,3,9-11,14H2,1-2H3/p+1/t12-/m0/s1