[(2S)-butan-2-yl]-[(1R)-1-(4-methylsulfanylphenyl)ethyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[(1R)-1-(4-methylsulfanylphenyl)ethyl]azanium Openeye Name: [(1S)-1-methylpropyl]-[(1R)-1-(4-methylsulfanylphenyl)ethyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(1R)-1-[4-(methylthio)phenyl]ethyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(1R)-1-(4-methylsulfanylphenyl)ethyl]azanium Traditional Name: [(1S)-1-methylpropyl]-[(1R)-1-[4-(methylthio)phenyl]ethyl]ammonium Formula: C13H22NS+ MolecularWeight: 224.38548

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]C(C)C1=CC=C(C=C1)SC

Isomeric SMILES

CC[C@H](C)[NH2+][C@H](C)C1=CC=C(C=C1)SC

InChI

InChI=1S/C13H21NS/c1-5-10(2)14-11(3)12-6-8-13(15-4)9-7-12/h6-11,14H,5H2,1-4H3/p+1/t10-,11+/m0/s1