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

Systemtic Name: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-oxidanyl-2-phenyl-propanoate chloride Openeye Name: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenyl-propanoate chloride CAS Name: 3-hydroxy-2-phenylpropanoic acid (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester chloride IUPAC Name: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate chloride Traditional Name: 3-hydroxy-2-phenyl-propionic acid (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester chloride Formula: C17H24ClNO3 MolecularWeight: 325.83036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO3.ClH/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;/h2-6,13-16,19H,7-11H2,1H3;1H