(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(4-oxidanylbutoxy)-2,2-diphenyl-ethanoate bromide

Systemtic Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(4-oxidanylbutoxy)-2,2-diphenyl-ethanoate bromide Openeye Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(4-hydroxybutoxy)-2,2-diphenyl-acetate bromide CAS Name: 2-(4-hydroxybutoxy)-2,2-diphenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester bromide IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(4-hydroxybutoxy)-2,2-diphenylacetate bromide Traditional Name: 2-(4-hydroxybutoxy)-2,2-diphenyl-acetic acid (1,1-dimethylpyrrolidin-1-ium-3-yl) ester bromide Formula: C24H32BrNO4 MolecularWeight: 478.41918

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCCCCO)C.[Br-]

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCCCCO)C.[Br-]

InChI

InChI=1S/C24H32NO4.BrH/c1-25(2)16-15-22(19-25)29-23(27)24(28-18-10-9-17-26,20-11-5-3-6-12-20)21-13-7-4-8-14-21;/h3-8,11-14,22,26H,9-10,15-19H2,1-2H3;1H/q+1;/p-1