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

Systemtic Name: (8-butyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 4-oxidanyl-2-phenyl-butanoate Openeye Name: (8-butyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 4-hydroxy-2-phenyl-butanoate CAS Name: 4-hydroxy-2-phenylbutanoic acid (8-butyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester IUPAC Name: (8-butyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 4-hydroxy-2-phenylbutanoate Traditional Name: 4-hydroxy-2-phenyl-butyric acid (8-butyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester Formula: C22H34NO3+ MolecularWeight: 360.51026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34NO3/c1-3-4-13-23(2)18-10-11-19(23)16-20(15-18)26-22(25)21(12-14-24)17-8-6-5-7-9-17/h5-9,18-21,24H,3-4,10-16H2,1-2H3/q+1