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

Systemtic Name: [(2S)-1-[methyl(phenyl)amino]-4-methylsulfanyl-butan-2-yl]azanium Openeye Name: [(1S)-1-[(N-methylanilino)methyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-(N-methylanilino)-4-(methylthio)butan-2-yl]ammonium IUPAC Name: [(2S)-1-(N-methylanilino)-4-methylsulfanylbutan-2-yl]azanium Traditional Name: [(1S)-1-[(N-methylanilino)methyl]-3-(methylthio)propyl]ammonium Formula: C12H21N2S+ MolecularWeight: 225.37354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N2S/c1-14(10-11(13)8-9-15-2)12-6-4-3-5-7-12/h3-7,11H,8-10,13H2,1-2H3/p+1/t11-/m0/s1