4-[(4-methylsulfanylphenyl)methyl]-1-aza-4-azoniabicyclo[2.2.2]octane

Systemtic Name: 4-[(4-methylsulfanylphenyl)methyl]-1-aza-4-azoniabicyclo[2.2.2]octane Openeye Name: 4-[(4-methylsulfanylphenyl)methyl]-1-aza-4-azoniabicyclo[2.2.2]octane CAS Name: 4-[[4-(methylthio)phenyl]methyl]-1-aza-4-azoniabicyclo[2.2.2]octane IUPAC Name: 4-[(4-methylsulfanylphenyl)methyl]-1-aza-4-azoniabicyclo[2.2.2]octane Traditional Name: 4-[4-(methylthio)benzyl]-1-aza-4-azoniabicyclo[2.2.2]octane Formula: C14H21N2S+ MolecularWeight: 249.39494

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[N+]23CCN(CC2)CC3

Isomeric SMILES

CSC1=CC=C(C=C1)C[N+]23CCN(CC2)CC3

InChI

InChI=1S/C14H21N2S/c1-17-14-4-2-13(3-5-14)12-16-9-6-15(7-10-16)8-11-16/h2-5H,6-12H2,1H3/q+1