(1-methylpyrrolidin-1-ium-2-yl)methyl 2-ethoxy-2,2-diphenyl-ethanoate bromide

Systemtic Name: (1-methylpyrrolidin-1-ium-2-yl)methyl 2-ethoxy-2,2-diphenyl-ethanoate bromide Openeye Name: (1-methylpyrrolidin-1-ium-2-yl)methyl 2-ethoxy-2,2-diphenyl-acetate bromide CAS Name: 2-ethoxy-2,2-diphenylacetic acid (1-methyl-2-pyrrolidin-1-iumyl)methyl ester bromide IUPAC Name: (1-methylpyrrolidin-1-ium-2-yl)methyl 2-ethoxy-2,2-diphenylacetate bromide Traditional Name: 2-ethoxy-2,2-diphenyl-acetic acid (1-methylpyrrolidin-1-ium-2-yl)methyl ester bromide Formula: C22H28BrNO3 MolecularWeight: 434.36662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC3CCC[NH+]3C.[Br-]

Isomeric SMILES

CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC3CCC[NH+]3C.[Br-]

InChI

InChI=1S/C22H27NO3.BrH/c1-3-26-22(18-11-6-4-7-12-18,19-13-8-5-9-14-19)21(24)25-17-20-15-10-16-23(20)2;/h4-9,11-14,20H,3,10,15-17H2,1-2H3;1H