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

Systemtic Name: (8-methyl-8-oxidanyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-oxidanyl-2-phenyl-propanoate Openeye Name: (8-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenyl-propanoate CAS Name: 3-hydroxy-2-phenylpropanoic acid (8-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester IUPAC Name: (8-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate Traditional Name: 3-hydroxy-2-phenyl-propionic acid (8-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester Formula: C17H24NO4+ MolecularWeight: 306.37676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24NO4/c1-18(21)13-7-8-14(18)10-15(9-13)22-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19,21H,7-11H2,1H3/q+1