2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate; 1,1-dimethylpyrrolidin-1-ium-3-ol; bromide

Systemtic Name: 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate; 1,1-dimethylpyrrolidin-1-ium-3-ol; bromide Openeye Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetate; 1,1-dimethylpyrrolidin-1-ium-3-ol; bromide CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetate; 1,1-dimethyl-3-pyrrolidin-1-iumol; bromide IUPAC Name: 2-cyclopentyl-2-hydroxy-2-phenylacetate; 1,1-dimethylpyrrolidin-1-ium-3-ol; bromide Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetate; 1,1-dimethylpyrrolidin-1-ium-3-ol; bromide Formula: C19H29BrNO4- MolecularWeight: 415.34186

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)O)C.C1CCC(C1)C(C2=CC=CC=C2)(C(=O)[O-])O.[Br-]

Isomeric SMILES

C[N+]1(CCC(C1)O)C.C1CCC(C1)C(C2=CC=CC=C2)(C(=O)[O-])O.[Br-]

InChI

InChI=1S/C13H16O3.C6H14NO.BrH/c14-12(15)13(16,11-8-4-5-9-11)10-6-2-1-3-7-10;1-7(2)4-3-6(8)5-7;/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15);6,8H,3-5H2,1-2H3;1H/q;+1;/p-2