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

Systemtic Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(4-methylphenyl)-2-(4-oxidanylbutoxy)-2-phenyl-ethanoate bromide Openeye Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(4-hydroxybutoxy)-2-phenyl-2-(p-tolyl)acetate bromide CAS Name: 2-(4-hydroxybutoxy)-2-(4-methylphenyl)-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester bromide IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(4-hydroxybutoxy)-2-(4-methylphenyl)-2-phenylacetate bromide Traditional Name: 2-(4-hydroxybutoxy)-2-phenyl-2-(p-tolyl)acetic acid (1,1-dimethylpyrrolidin-1-ium-3-yl) ester bromide Formula: C25H34BrNO4 MolecularWeight: 492.44576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)OC3CC[N+](C3)(C)C)OCCCCO.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)OC3CC[N+](C3)(C)C)OCCCCO.[Br-]

InChI

InChI=1S/C25H34NO4.BrH/c1-20-11-13-22(14-12-20)25(29-18-8-7-17-27,21-9-5-4-6-10-21)24(28)30-23-15-16-26(2,3)19-23;/h4-6,9-14,23,27H,7-8,15-19H2,1-3H3;1H/q+1;/p-1