2-cyclopentyl-2-phenyl-ethanoate; 1-ethyl-1-methyl-pyrrolidin-1-ium-3-ol; bromide

Systemtic Name: 2-cyclopentyl-2-phenyl-ethanoate; 1-ethyl-1-methyl-pyrrolidin-1-ium-3-ol; bromide Openeye Name: 2-cyclopentyl-2-phenyl-acetate; 1-ethyl-1-methyl-pyrrolidin-1-ium-3-ol; bromide CAS Name: 2-cyclopentyl-2-phenylacetate; 1-ethyl-1-methyl-3-pyrrolidin-1-iumol; bromide IUPAC Name: 2-cyclopentyl-2-phenylacetate; 1-ethyl-1-methylpyrrolidin-1-ium-3-ol; bromide Traditional Name: 2-cyclopentyl-2-phenyl-acetate; 1-ethyl-1-methyl-pyrrolidin-1-ium-3-ol; bromide Formula: C20H31BrNO3- MolecularWeight: 413.36904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O2.C7H16NO.BrH/c14-13(15)12(11-8-4-5-9-11)10-6-2-1-3-7-10;1-3-8(2)5-4-7(9)6-8;/h1-3,6-7,11-12H,4-5,8-9H2,(H,14,15);7,9H,3-6H2,1-2H3;1H/q;+1;/p-2