(8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 4-oxidanyl-2-phenyl-butanoate

Systemtic Name: (8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 4-oxidanyl-2-phenyl-butanoate Openeye Name: (8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 4-hydroxy-2-phenyl-butanoate CAS Name: 4-hydroxy-2-phenylbutanoic acid (8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester IUPAC Name: (8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 4-hydroxy-2-phenylbutanoate Traditional Name: 4-hydroxy-2-phenyl-butyric acid (8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester Formula: C20H30NO3+ MolecularWeight: 332.4571

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30NO3/c1-3-21(2)16-9-10-17(21)14-18(13-16)24-20(23)19(11-12-22)15-7-5-4-6-8-15/h4-8,16-19,22H,3,9-14H2,1-2H3/q+1