3-(4-methoxyphenyl)-4-methyl-8-pyrrolidin-1-yl-8H-thieno[2,3-b]pyrrolizin-4-ium iodide

Systemtic Name: 3-(4-methoxyphenyl)-4-methyl-8-pyrrolidin-1-yl-8H-thieno[2,3-b]pyrrolizin-4-ium iodide Openeye Name: 3-(4-methoxyphenyl)-4-methyl-8-pyrrolidin-1-yl-8H-thieno[2,3-b]pyrrolizin-4-ium iodide CAS Name: 3-(4-methoxyphenyl)-4-methyl-8-(1-pyrrolidinyl)-8H-thieno[2,3-b]pyrrolizin-4-ium iodide IUPAC Name: 3-(4-methoxyphenyl)-4-methyl-8-pyrrolidin-1-yl-8H-thieno[2,3-b]pyrrolizin-4-ium iodide Traditional Name: 3-(4-methoxyphenyl)-4-methyl-8-pyrrolidino-8H-thieno[2,3-b]pyrrolizin-4-ium iodide Formula: C21H23IN2OS MolecularWeight: 478.38959

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12C=CC=C1C(C3=C2C(=CS3)C4=CC=C(C=C4)OC)N5CCCC5.[I-]

Isomeric SMILES

C[N+]12C=CC=C1C(C3=C2C(=CS3)C4=CC=C(C=C4)OC)N5CCCC5.[I-]

InChI

InChI=1S/C21H23N2OS.HI/c1-23-13-5-6-18(23)19(22-11-3-4-12-22)21-20(23)17(14-25-21)15-7-9-16(24-2)10-8-15;/h5-10,13-14,19H,3-4,11-12H2,1-2H3;1H/q+1;/p-1