1-[(4-methylsulfanylphenyl)methyl]azepan-1-ium

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]azepan-1-ium Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]azepan-1-ium CAS Name: 1-[[4-(methylthio)phenyl]methyl]azepan-1-ium IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]azepan-1-ium Traditional Name: 1-[4-(methylthio)benzyl]azepan-1-ium Formula: C14H22NS+ MolecularWeight: 236.39618

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCCCCC2

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCCCCC2

InChI

InChI=1S/C14H21NS/c1-16-14-8-6-13(7-9-14)12-15-10-4-2-3-5-11-15/h6-9H,2-5,10-12H2,1H3/p+1