(8-butyl-2,8-dimethyl-3-oxa-1-aza-8-azoniabicyclo[3.2.1]octan-7-yl) 3-oxidanyl-2-phenyl-propanoate

Systemtic Name: (8-butyl-2,8-dimethyl-3-oxa-1-aza-8-azoniabicyclo[3.2.1]octan-7-yl) 3-oxidanyl-2-phenyl-propanoate Openeye Name: (8-butyl-2,8-dimethyl-3-oxa-1-aza-8-azoniabicyclo[3.2.1]octan-7-yl) 3-hydroxy-2-phenyl-propanoate CAS Name: 3-hydroxy-2-phenylpropanoic acid (8-butyl-2,8-dimethyl-3-oxa-1-aza-8-azoniabicyclo[3.2.1]octan-7-yl) ester IUPAC Name: (8-butyl-2,8-dimethyl-3-oxa-1-aza-8-azoniabicyclo[3.2.1]octan-7-yl) 3-hydroxy-2-phenylpropanoate Traditional Name: 3-hydroxy-2-phenyl-propionic acid (8-butyl-2,8-dimethyl-3-oxa-1-aza-8-azoniabicyclo[3.2.1]octan-7-yl) ester Formula: C20H31N2O4+ MolecularWeight: 363.47114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C2CC(N1C(OC2)C)OC(=O)C(CO)C3=CC=CC=C3)C

Isomeric SMILES

CCCC[N+]1(C2CC(N1C(OC2)C)OC(=O)C(CO)C3=CC=CC=C3)C

InChI

InChI=1S/C20H31N2O4/c1-4-5-11-22(3)17-12-19(21(22)15(2)25-14-17)26-20(24)18(13-23)16-9-7-6-8-10-16/h6-10,15,17-19,23H,4-5,11-14H2,1-3H3/q+1