2-(1,2,5-trimethylpyrrolidin-1-ium-1-yl)ethyl 2-oxidanyl-2,2-diphenyl-ethanoate bromide

Systemtic Name: 2-(1,2,5-trimethylpyrrolidin-1-ium-1-yl)ethyl 2-oxidanyl-2,2-diphenyl-ethanoate bromide Openeye Name: 2-(1,2,5-trimethylpyrrolidin-1-ium-1-yl)ethyl 2-hydroxy-2,2-diphenyl-acetate bromide CAS Name: 2-hydroxy-2,2-diphenylacetic acid 2-(1,2,5-trimethyl-1-pyrrolidin-1-iumyl)ethyl ester bromide IUPAC Name: 2-(1,2,5-trimethylpyrrolidin-1-ium-1-yl)ethyl 2-hydroxy-2,2-diphenylacetate bromide Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid 2-(1,2,5-trimethylpyrrolidin-1-ium-1-yl)ethyl ester bromide Formula: C23H30BrNO3 MolecularWeight: 448.3932

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC([N+]1(C)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.[Br-]

Isomeric SMILES

CC1CCC([N+]1(C)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.[Br-]

InChI

InChI=1S/C23H30NO3.BrH/c1-18-14-15-19(2)24(18,3)16-17-27-22(25)23(26,20-10-6-4-7-11-20)21-12-8-5-9-13-21;/h4-13,18-19,26H,14-17H2,1-3H3;1H/q+1;/p-1