[2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethyl] 4-bromanylbenzoate iodide

Systemtic Name: [2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethyl] 4-bromanylbenzoate iodide Openeye Name: [2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethyl] 4-bromobenzoate iodide CAS Name: 4-bromobenzoic acid [2-(1-methyl-1-pyrrolidin-1-iumyl)-1-phenylethyl] ester iodide IUPAC Name: [2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenylethyl] 4-bromobenzoate iodide Traditional Name: 4-bromobenzoic acid [2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethyl] ester iodide Formula: C20H23BrINO2 MolecularWeight: 516.21059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrNO2.HI/c1-22(13-5-6-14-22)15-19(16-7-3-2-4-8-16)24-20(23)17-9-11-18(21)12-10-17;/h2-4,7-12,19H,5-6,13-15H2,1H3;1H/q+1;/p-1