(3S)-N-(3-methylsulfanylphenyl)-1-azoniabicyclo[2.2.2]octan-3-amine

Systemtic Name: (3S)-N-(3-methylsulfanylphenyl)-1-azoniabicyclo[2.2.2]octan-3-amine Openeye Name: (3S)-N-(3-methylsulfanylphenyl)quinuclidin-1-ium-3-amine CAS Name: (3S)-N-[3-(methylthio)phenyl]-1-azoniabicyclo[2.2.2]octan-3-amine IUPAC Name: (3S)-N-(3-methylsulfanylphenyl)-1-azoniabicyclo[2.2.2]octan-3-amine Traditional Name: [3-(methylthio)phenyl]-[(3S)-quinuclidin-1-ium-3-yl]amine Formula: C14H21N2S+ MolecularWeight: 249.39494

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC2C[NH+]3CCC2CC3

Isomeric SMILES

CSC1=CC=CC(=C1)N[C@@H]2C[NH+]3CCC2CC3

InChI

InChI=1S/C14H20N2S/c1-17-13-4-2-3-12(9-13)15-14-10-16-7-5-11(14)6-8-16/h2-4,9,11,14-15H,5-8,10H2,1H3/p+1/t14-/m1/s1