(4-methylsulfanylphenyl)methyl-[(2S)-pentan-2-yl]azanium

Systemtic Name: (4-methylsulfanylphenyl)methyl-[(2S)-pentan-2-yl]azanium Openeye Name: [(1S)-1-methylbutyl]-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [4-(methylthio)phenyl]methyl-[(2S)-pentan-2-yl]ammonium IUPAC Name: (4-methylsulfanylphenyl)methyl-[(2S)-pentan-2-yl]azanium Traditional Name: [(1S)-1-methylbutyl]-[4-(methylthio)benzyl]ammonium Formula: C13H22NS+ MolecularWeight: 224.38548

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)[NH2+]CC1=CC=C(C=C1)SC

Isomeric SMILES

CCC[C@H](C)[NH2+]CC1=CC=C(C=C1)SC

InChI

InChI=1S/C13H21NS/c1-4-5-11(2)14-10-12-6-8-13(15-3)9-7-12/h6-9,11,14H,4-5,10H2,1-3H3/p+1/t11-/m0/s1