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

Systemtic Name: [(2S)-1-[ethyl-(3-methylphenyl)amino]-4-methylsulfanyl-butan-2-yl]azanium Openeye Name: [(1S)-1-[(N-ethyl-3-methyl-anilino)methyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-(N-ethyl-3-methylanilino)-4-(methylthio)butan-2-yl]ammonium IUPAC Name: [(2S)-1-(N-ethyl-3-methylanilino)-4-methylsulfanylbutan-2-yl]azanium Traditional Name: [(1S)-1-[(N-ethyl-3-methyl-anilino)methyl]-3-(methylthio)propyl]ammonium Formula: C14H25N2S+ MolecularWeight: 253.4267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N2S/c1-4-16(11-13(15)8-9-17-3)14-7-5-6-12(2)10-14/h5-7,10,13H,4,8-9,11,15H2,1-3H3/p+1/t13-/m0/s1