[3-(2-phenethyl-2-azabicyclo[3.2.1]octan-5-yl)phenyl] pentanoate hydrobromide

Systemtic Name: [3-(2-phenethyl-2-azabicyclo[3.2.1]octan-5-yl)phenyl] pentanoate hydrobromide Openeye Name: [3-(2-phenethyl-2-azabicyclo[3.2.1]octan-5-yl)phenyl] pentanoate hydrobromide CAS Name: pentanoic acid [3-(2-phenethyl-2-azabicyclo[3.2.1]octan-5-yl)phenyl] ester hydrobromide IUPAC Name: [3-(2-phenethyl-2-azabicyclo[3.2.1]octan-5-yl)phenyl] pentanoate hydrobromide Traditional Name: valeric acid [3-(2-phenethyl-2-azabicyclo[3.2.1]octan-5-yl)phenyl] ester hydrobromide Formula: C26H34BrNO2 MolecularWeight: 472.45766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=CC=CC(=C1)C23CCC(C2)N(CC3)CCC4=CC=CC=C4.Br

Isomeric SMILES

CCCCC(=O)OC1=CC=CC(=C1)C23CCC(C2)N(CC3)CCC4=CC=CC=C4.Br

InChI

InChI=1S/C26H33NO2.BrH/c1-2-3-12-25(28)29-24-11-7-10-22(19-24)26-15-13-23(20-26)27(18-16-26)17-14-21-8-5-4-6-9-21;/h4-11,19,23H,2-3,12-18,20H2,1H3;1H