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

Systemtic Name: 9-phenyl-7-(phenylmethyl)-3-thia-7-azoniabicyclo[3.3.1]nonan-9-ol perchlorate Openeye Name: 7-benzyl-9-phenyl-3-thia-7-azoniabicyclo[3.3.1]nonan-9-ol perchlorate CAS Name: 9-phenyl-7-(phenylmethyl)-3-thia-7-azoniabicyclo[3.3.1]nonan-9-ol perchlorate IUPAC Name: 7-benzyl-9-phenyl-3-thia-7-azoniabicyclo[3.3.1]nonan-9-ol perchlorate Traditional Name: 7-benzyl-9-phenyl-3-thia-7-azoniabicyclo[3.3.1]nonan-9-ol perchlorate Formula: C20H24ClNO5S MolecularWeight: 425.92626

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CSCC(C2(C3=CC=CC=C3)O)C[NH+]1CC4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1C2CSCC(C2(C3=CC=CC=C3)O)C[NH+]1CC4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H23NOS.ClHO4/c22-20(17-9-5-2-6-10-17)18-12-21(13-19(20)15-23-14-18)11-16-7-3-1-4-8-16;2-1(3,4)5/h1-10,18-19,22H,11-15H2;(H,2,3,4,5)