1,1-dimethylpyrrolidin-1-ium-3-ol; 2-oxidanyl-2,2-diphenyl-ethanoate; hydrobromide

Systemtic Name: 1,1-dimethylpyrrolidin-1-ium-3-ol; 2-oxidanyl-2,2-diphenyl-ethanoate; hydrobromide Openeye Name: 1,1-dimethylpyrrolidin-1-ium-3-ol; 2-hydroxy-2,2-diphenyl-acetate; hydrobromide CAS Name: 1,1-dimethyl-3-pyrrolidin-1-iumol; 2-hydroxy-2,2-diphenylacetate; hydrobromide IUPAC Name: 1,1-dimethylpyrrolidin-1-ium-3-ol; 2-hydroxy-2,2-diphenylacetate; hydrobromide Traditional Name: benzilate; 1,1-dimethylpyrrolidin-1-ium-3-ol; hydrobromide Formula: C20H26BrNO4 MolecularWeight: 424.32874

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)O)C.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)[O-])O.Br

Isomeric SMILES

C[N+]1(CCC(C1)O)C.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)[O-])O.Br

InChI

InChI=1S/C14H12O3.C6H14NO.BrH/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-7(2)4-3-6(8)5-7;/h1-10,17H,(H,15,16);6,8H,3-5H2,1-2H3;1H/q;+1;/p-1