7-(phenylmethyl)-3-thia-7-azoniabicyclo[3.3.1]nonan-9-one perchlorate

Systemtic Name: 7-(phenylmethyl)-3-thia-7-azoniabicyclo[3.3.1]nonan-9-one perchlorate Openeye Name: 7-benzyl-3-thia-7-azoniabicyclo[3.3.1]nonan-9-one perchlorate CAS Name: 7-(phenylmethyl)-3-thia-7-azoniabicyclo[3.3.1]nonan-9-one perchlorate IUPAC Name: 7-benzyl-3-thia-7-azoniabicyclo[3.3.1]nonan-9-one perchlorate Traditional Name: 7-benzyl-3-thia-7-azoniabicyclo[3.3.1]nonan-9-one perchlorate Formula: C14H18ClNO5S MolecularWeight: 347.81442

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CSCC(C2=O)C[NH+]1CC3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1C2CSCC(C2=O)C[NH+]1CC3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C14H17NOS.ClHO4/c16-14-12-7-15(8-13(14)10-17-9-12)6-11-4-2-1-3-5-11;2-1(3,4)5/h1-5,12-13H,6-10H2;(H,2,3,4,5)