3-(4-bromophenyl)-8-(1-methylpyrrolidin-1-ium-1-yl)-8H-thieno[2,3-b]pyrrolizine iodide

Systemtic Name: 3-(4-bromophenyl)-8-(1-methylpyrrolidin-1-ium-1-yl)-8H-thieno[2,3-b]pyrrolizine iodide Openeye Name: 3-(4-bromophenyl)-8-(1-methylpyrrolidin-1-ium-1-yl)-8H-thieno[2,3-b]pyrrolizine iodide CAS Name: 3-(4-bromophenyl)-8-(1-methyl-1-pyrrolidin-1-iumyl)-8H-thieno[2,3-b]pyrrolizine iodide IUPAC Name: 3-(4-bromophenyl)-8-(1-methylpyrrolidin-1-ium-1-yl)-8H-thieno[2,3-b]pyrrolizine iodide Traditional Name: 3-(4-bromophenyl)-8-(1-methylpyrrolidin-1-ium-1-yl)-8H-thieno[2,3-b]pyrrolizine iodide Formula: C20H20BrIN2S MolecularWeight: 527.25967

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)C2C3=CC=CN3C4=C2SC=C4C5=CC=C(C=C5)Br.[I-]

Isomeric SMILES

C[N+]1(CCCC1)C2C3=CC=CN3C4=C2SC=C4C5=CC=C(C=C5)Br.[I-]

InChI

InChI=1S/C20H20BrN2S.HI/c1-23(11-2-3-12-23)19-17-5-4-10-22(17)18-16(13-24-20(18)19)14-6-8-15(21)9-7-14;/h4-10,13,19H,2-3,11-12H2,1H3;1H/q+1;/p-1