(8-methyl-8-oxidanidyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-azanyloxy-2-phenyl-propanoate hydrobromide

Systemtic Name: (8-methyl-8-oxidanidyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-azanyloxy-2-phenyl-propanoate hydrobromide Openeye Name: (8-methyl-8-oxido-8-azoniabicyclo[3.2.1]octan-3-yl) 3-aminooxy-2-phenyl-propanoate hydrobromide CAS Name: 3-aminooxy-2-phenylpropanoic acid (8-methyl-8-oxido-8-azoniabicyclo[3.2.1]octan-3-yl) ester hydrobromide IUPAC Name: (8-methyl-8-oxido-8-azoniabicyclo[3.2.1]octan-3-yl) 3-aminooxy-2-phenylpropanoate hydrobromide Traditional Name: 3-aminooxy-2-phenyl-propionic acid (8-methyl-8-oxido-8-azoniabicyclo[3.2.1]octan-3-yl) ester hydrobromide Formula: C17H25BrN2O4 MolecularWeight: 401.2954

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(C2)OC(=O)C(CON)C3=CC=CC=C3)[O-].Br

Isomeric SMILES

C[N+]1(C2CCC1CC(C2)OC(=O)C(CON)C3=CC=CC=C3)[O-].Br

InChI

InChI=1S/C17H24N2O4.BrH/c1-19(21)13-7-8-14(19)10-15(9-13)23-17(20)16(11-22-18)12-5-3-2-4-6-12;/h2-6,13-16H,7-11,18H2,1H3;1H