[2-(1-methylpyrrolidin-1-ium-1-yl)-2-phenyl-ethyl] 2,2-diphenylethanoate bromide

Systemtic Name: [2-(1-methylpyrrolidin-1-ium-1-yl)-2-phenyl-ethyl] 2,2-diphenylethanoate bromide Openeye Name: [2-(1-methylpyrrolidin-1-ium-1-yl)-2-phenyl-ethyl] 2,2-diphenylacetate bromide CAS Name: 2,2-diphenylacetic acid [2-(1-methyl-1-pyrrolidin-1-iumyl)-2-phenylethyl] ester bromide IUPAC Name: [2-(1-methylpyrrolidin-1-ium-1-yl)-2-phenylethyl] 2,2-diphenylacetate bromide Traditional Name: 2,2-diphenylacetic acid [2-(1-methylpyrrolidin-1-ium-1-yl)-2-phenyl-ethyl] ester bromide Formula: C27H30BrNO2 MolecularWeight: 480.4366

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)C(COC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C[N+]1(CCCC1)C(COC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C27H30NO2.BrH/c1-28(19-11-12-20-28)25(22-13-5-2-6-14-22)21-30-27(29)26(23-15-7-3-8-16-23)24-17-9-4-10-18-24;/h2-10,13-18,25-26H,11-12,19-21H2,1H3;1H/q+1;/p-1