2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate; 1-methyl-1-azoniabicyclo[2.2.2]octan-3-ol; bromide

Systemtic Name: 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate; 1-methyl-1-azoniabicyclo[2.2.2]octan-3-ol; bromide Openeye Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetate; 1-methylquinuclidin-1-ium-3-ol; bromide CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetate; 1-methyl-1-azoniabicyclo[2.2.2]octan-3-ol; bromide IUPAC Name: 2-cyclopentyl-2-hydroxy-2-phenylacetate; 1-methyl-1-azoniabicyclo[2.2.2]octan-3-ol; bromide Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetate; 1-methylquinuclidin-1-ium-3-ol; bromide Formula: C21H31BrNO4- MolecularWeight: 441.37914

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(C2)O.C1CCC(C1)C(C2=CC=CC=C2)(C(=O)[O-])O.[Br-]

Isomeric SMILES

C[N+]12CCC(CC1)C(C2)O.C1CCC(C1)C(C2=CC=CC=C2)(C(=O)[O-])O.[Br-]

InChI

InChI=1S/C13H16O3.C8H16NO.BrH/c14-12(15)13(16,11-8-4-5-9-11)10-6-2-1-3-7-10;1-9-4-2-7(3-5-9)8(10)6-9;/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15);7-8,10H,2-6H2,1H3;1H/q;+1;/p-2