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3-[[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]sulfanyl]benzoate

3-[[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]sulfanyl]benzoate

Systemtic Name:3-[[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]sulfanyl]benzoate
Openeye Name:3-[[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]sulfanyl]benzoate
CAS Name:3-[[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]thio]benzoate
IUPAC Name:3-[[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]sulfanyl]benzoate
Traditional Name:3-[[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]thio]benzoate
Formula: C15H19NO2S
MolecularWeight: 277.38186
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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C2CCC1CC(C2)SC3=CC=CC(=C3)C(=O)[O-]


Isomeric SMILES

C[NH+]1[C@@H]2CC[C@H]1CC(C2)SC3=CC=CC(=C3)C(=O)[O-]


InChI

InChI=1S/C15H19NO2S/c1-16-11-5-6-12(16)9-14(8-11)19-13-4-2-3-10(7-13)15(17)18/h2-4,7,11-12,14H,5-6,8-9H2,1H3,(H,17,18)/t11-,12+,14?


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