2,2-diphenylethanoate; 1-methyl-1-azoniabicyclo[3.2.1]octan-6-ol; hydrobromide

Systemtic Name: 2,2-diphenylethanoate; 1-methyl-1-azoniabicyclo[3.2.1]octan-6-ol; hydrobromide Openeye Name: 2,2-diphenylacetate; 1-methyl-1-azoniabicyclo[3.2.1]octan-6-ol; hydrobromide CAS Name: 2,2-diphenylacetate; 1-methyl-1-azoniabicyclo[3.2.1]octan-6-ol; hydrobromide IUPAC Name: 2,2-diphenylacetate; 1-methyl-1-azoniabicyclo[3.2.1]octan-6-ol; hydrobromide Traditional Name: 2,2-diphenylacetate; 1-methyl-1-azoniabicyclo[3.2.1]octan-6-ol; hydrobromide Formula: C22H28BrNO3 MolecularWeight: 434.36662

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCCC(C1)C(C2)O.C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)[O-].Br

Isomeric SMILES

C[N+]12CCCC(C1)C(C2)O.C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)[O-].Br

InChI

InChI=1S/C14H12O2.C8H16NO.BrH/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-9-4-2-3-7(5-9)8(10)6-9;/h1-10,13H,(H,15,16);7-8,10H,2-6H2,1H3;1H/q;+1;/p-1