(2S)-2-(2-methylsulfanylphenyl)azepan-1-ium

Systemtic Name: (2S)-2-(2-methylsulfanylphenyl)azepan-1-ium Openeye Name: (2S)-2-(2-methylsulfanylphenyl)azepan-1-ium CAS Name: (2S)-2-[2-(methylthio)phenyl]azepan-1-ium IUPAC Name: (2S)-2-(2-methylsulfanylphenyl)azepan-1-ium Traditional Name: (2S)-2-[2-(methylthio)phenyl]azepan-1-ium Formula: C13H20NS+ MolecularWeight: 222.3696

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C2CCCCC[NH2+]2

Isomeric SMILES

CSC1=CC=CC=C1[C@@H]2CCCCC[NH2+]2

InChI

InChI=1S/C13H19NS/c1-15-13-9-5-4-7-11(13)12-8-3-2-6-10-14-12/h4-5,7,9,12,14H,2-3,6,8,10H2,1H3/p+1/t12-/m0/s1