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

Systemtic Name: (8-butyl-2,8-dimethyl-3-oxa-1-aza-8-azoniabicyclo[3.2.1]octan-7-yl) 3-oxidanyl-2-phenyl-propanoate hydrobromide Openeye Name: (8-butyl-2,8-dimethyl-3-oxa-1-aza-8-azoniabicyclo[3.2.1]octan-7-yl) 3-hydroxy-2-phenyl-propanoate hydrobromide 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 hydrobromide IUPAC Name: (8-butyl-2,8-dimethyl-3-oxa-1-aza-8-azoniabicyclo[3.2.1]octan-7-yl) 3-hydroxy-2-phenylpropanoate hydrobromide 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 hydrobromide Formula: C20H32BrN2O4+ MolecularWeight: 444.38308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N2O4.BrH/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;1H/q+1;