(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-oxidanyl-2-phenyl-propanoate chloride

Systemtic Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-oxidanyl-2-phenyl-propanoate chloride Openeye Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenyl-propanoate chloride CAS Name: 3-hydroxy-2-phenylpropanoic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester chloride IUPAC Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate chloride Traditional Name: 3-hydroxy-2-phenyl-propionic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester chloride Formula: C18H26ClNO3 MolecularWeight: 339.85694

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[Cl-]

Isomeric SMILES

C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[Cl-]

InChI

InChI=1S/C18H26NO3.ClH/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13;/h3-7,14-17,20H,8-12H2,1-2H3;1H/q+1;/p-1