(1-ethylpyrrolidin-1-ium-3-yl) 2-(4-methylphenyl)-2-(3-oxidanylpropoxy)-2-phenyl-ethanoate bromide

Systemtic Name: (1-ethylpyrrolidin-1-ium-3-yl) 2-(4-methylphenyl)-2-(3-oxidanylpropoxy)-2-phenyl-ethanoate bromide Openeye Name: (1-ethylpyrrolidin-1-ium-3-yl) 2-(3-hydroxypropoxy)-2-phenyl-2-(p-tolyl)acetate bromide CAS Name: 2-(3-hydroxypropoxy)-2-(4-methylphenyl)-2-phenylacetic acid (1-ethyl-3-pyrrolidin-1-iumyl) ester bromide IUPAC Name: (1-ethylpyrrolidin-1-ium-3-yl) 2-(3-hydroxypropoxy)-2-(4-methylphenyl)-2-phenylacetate bromide Traditional Name: 2-(3-hydroxypropoxy)-2-phenyl-2-(p-tolyl)acetic acid (1-ethylpyrrolidin-1-ium-3-yl) ester bromide Formula: C24H32BrNO4 MolecularWeight: 478.41918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO4.BrH/c1-3-25-15-14-22(18-25)29-23(27)24(28-17-7-16-26,20-8-5-4-6-9-20)21-12-10-19(2)11-13-21;/h4-6,8-13,22,26H,3,7,14-18H2,1-2H3;1H