3-[5-(3-hydroxyphenyl)-7-azoniabicyclo[3.2.1]octan-7-yl]-1-phenyl-propan-1-one chloride

Systemtic Name: 3-[5-(3-hydroxyphenyl)-7-azoniabicyclo[3.2.1]octan-7-yl]-1-phenyl-propan-1-one chloride Openeye Name: 3-[5-(3-hydroxyphenyl)-7-azoniabicyclo[3.2.1]octan-7-yl]-1-phenyl-propan-1-one chloride CAS Name: 3-[5-(3-hydroxyphenyl)-7-azoniabicyclo[3.2.1]octan-7-yl]-1-phenyl-1-propanone chloride IUPAC Name: 3-[5-(3-hydroxyphenyl)-7-azoniabicyclo[3.2.1]octan-7-yl]-1-phenylpropan-1-one chloride Traditional Name: 3-[5-(3-hydroxyphenyl)-7-azoniabicyclo[3.2.1]octan-7-yl]-1-phenyl-propan-1-one chloride Formula: C22H26ClNO2 MolecularWeight: 371.90034

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(C1)(C[NH+]2CCC(=O)C3=CC=CC=C3)C4=CC(=CC=C4)O.[Cl-]

Isomeric SMILES

C1CC2CC(C1)(C[NH+]2CCC(=O)C3=CC=CC=C3)C4=CC(=CC=C4)O.[Cl-]

InChI

InChI=1S/C22H25NO2.ClH/c24-20-10-4-8-18(14-20)22-12-5-9-19(15-22)23(16-22)13-11-21(25)17-6-2-1-3-7-17;/h1-4,6-8,10,14,19,24H,5,9,11-13,15-16H2;1H