4-(3-azoniabicyclo[3.2.2]nonan-3-yl)-1-phenyl-2-thiophen-2-yl-butan-2-ol chloride

Systemtic Name: 4-(3-azoniabicyclo[3.2.2]nonan-3-yl)-1-phenyl-2-thiophen-2-yl-butan-2-ol chloride Openeye Name: 4-(3-azoniabicyclo[3.2.2]nonan-3-yl)-1-phenyl-2-(2-thienyl)butan-2-ol chloride CAS Name: 4-(3-azoniabicyclo[3.2.2]nonan-3-yl)-1-phenyl-2-thiophen-2-yl-2-butanol chloride IUPAC Name: 4-(3-azoniabicyclo[3.2.2]nonan-3-yl)-1-phenyl-2-thiophen-2-ylbutan-2-ol chloride Traditional Name: 4-(3-azoniabicyclo[3.2.2]nonan-3-yl)-1-phenyl-2-(2-thienyl)butan-2-ol chloride Formula: C22H30ClNOS MolecularWeight: 391.9977

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CCC1C[NH+](C2)CCC(CC3=CC=CC=C3)(C4=CC=CS4)O.[Cl-]

Isomeric SMILES

C1CC2CCC1C[NH+](C2)CCC(CC3=CC=CC=C3)(C4=CC=CS4)O.[Cl-]

InChI

InChI=1S/C22H29NOS.ClH/c24-22(21-7-4-14-25-21,15-18-5-2-1-3-6-18)12-13-23-16-19-8-9-20(17-23)11-10-19;/h1-7,14,19-20,24H,8-13,15-17H2;1H