2-oxidanyl-2,2-diphenyl-ethanoate; 2-(1,2,5-trimethylpyrrolidin-1-ium-1-yl)ethanol; bromide

Systemtic Name: 2-oxidanyl-2,2-diphenyl-ethanoate; 2-(1,2,5-trimethylpyrrolidin-1-ium-1-yl)ethanol; bromide Openeye Name: 2-hydroxy-2,2-diphenyl-acetate; 2-(1,2,5-trimethylpyrrolidin-1-ium-1-yl)ethanol; bromide CAS Name: 2-hydroxy-2,2-diphenylacetate; 2-(1,2,5-trimethyl-1-pyrrolidin-1-iumyl)ethanol; bromide IUPAC Name: 2-hydroxy-2,2-diphenylacetate; 2-(1,2,5-trimethylpyrrolidin-1-ium-1-yl)ethanol; bromide Traditional Name: benzilate; 2-(1,2,5-trimethylpyrrolidin-1-ium-1-yl)ethanol; bromide Formula: C23H31BrNO4- MolecularWeight: 465.40054

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC([N+]1(C)CCO)C.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)[O-])O.[Br-]

Isomeric SMILES

CC1CCC([N+]1(C)CCO)C.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)[O-])O.[Br-]

InChI

InChI=1S/C14H12O3.C9H20NO.BrH/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-8-4-5-9(2)10(8,3)6-7-11;/h1-10,17H,(H,15,16);8-9,11H,4-7H2,1-3H3;1H/q;+1;/p-2