1-(phenylmethyl)-1-azoniabicyclo[2.2.1]heptane-3-carboxylate bromide

Systemtic Name: 1-(phenylmethyl)-1-azoniabicyclo[2.2.1]heptane-3-carboxylate bromide Openeye Name: 1-benzyl-1-azoniabicyclo[2.2.1]heptane-3-carboxylate bromide CAS Name: 1-(phenylmethyl)-1-azoniabicyclo[2.2.1]heptane-3-carboxylate bromide IUPAC Name: 1-benzyl-1-azoniabicyclo[2.2.1]heptane-3-carboxylate bromide Traditional Name: 1-benzyl-1-azoniabicyclo[2.2.1]heptane-3-carboxylate bromide Formula: C14H17BrNO2- MolecularWeight: 311.19428

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CC1C(C2)C(=O)[O-])CC3=CC=CC=C3.[Br-]

Isomeric SMILES

C1C[N+]2(CC1C(C2)C(=O)[O-])CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C14H17NO2.BrH/c16-14(17)13-10-15(7-6-12(13)9-15)8-11-4-2-1-3-5-11;/h1-5,12-13H,6-10H2;1H/p-1