2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate; 1-methyl-1-(phenylmethyl)pyrrolidin-1-ium-3-ol; bromide

Systemtic Name: 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate; 1-methyl-1-(phenylmethyl)pyrrolidin-1-ium-3-ol; bromide Openeye Name: 1-benzyl-1-methyl-pyrrolidin-1-ium-3-ol; 2-cyclopentyl-2-hydroxy-2-phenyl-acetate; bromide CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetate; 1-methyl-1-(phenylmethyl)-3-pyrrolidin-1-iumol; bromide IUPAC Name: 1-benzyl-1-methylpyrrolidin-1-ium-3-ol; 2-cyclopentyl-2-hydroxy-2-phenylacetate; bromide Traditional Name: 1-benzyl-1-methyl-pyrrolidin-1-ium-3-ol; 2-cyclopentyl-2-hydroxy-2-phenyl-acetate; bromide Formula: C25H33BrNO4- MolecularWeight: 491.43782

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)O)CC2=CC=CC=C2.C1CCC(C1)C(C2=CC=CC=C2)(C(=O)[O-])O.[Br-]

Isomeric SMILES

C[N+]1(CCC(C1)O)CC2=CC=CC=C2.C1CCC(C1)C(C2=CC=CC=C2)(C(=O)[O-])O.[Br-]

InChI

InChI=1S/C13H16O3.C12H18NO.BrH/c14-12(15)13(16,11-8-4-5-9-11)10-6-2-1-3-7-10;1-13(8-7-12(14)10-13)9-11-5-3-2-4-6-11;/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15);2-6,12,14H,7-10H2,1H3;1H/q;+1;/p-2