1-methyl-1-[(2-nitro-3-phenyl-1-benzofuran-5-yl)methyl]pyrrolidin-1-ium iodide

Systemtic Name: 1-methyl-1-[(2-nitro-3-phenyl-1-benzofuran-5-yl)methyl]pyrrolidin-1-ium iodide Openeye Name: 1-methyl-1-[(2-nitro-3-phenyl-benzofuran-5-yl)methyl]pyrrolidin-1-ium iodide CAS Name: 1-methyl-1-[(2-nitro-3-phenyl-5-benzofuranyl)methyl]pyrrolidin-1-ium iodide IUPAC Name: 1-methyl-1-[(2-nitro-3-phenyl-1-benzofuran-5-yl)methyl]pyrrolidin-1-ium iodide Traditional Name: 1-methyl-1-[(2-nitro-3-phenyl-benzofuran-5-yl)methyl]pyrrolidin-1-ium iodide Formula: C20H21IN2O3 MolecularWeight: 464.29681

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CC2=CC3=C(C=C2)OC(=C3C4=CC=CC=C4)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+]1(CCCC1)CC2=CC3=C(C=C2)OC(=C3C4=CC=CC=C4)[N+](=O)[O-].[I-]

InChI

InChI=1S/C20H21N2O3.HI/c1-22(11-5-6-12-22)14-15-9-10-18-17(13-15)19(20(25-18)21(23)24)16-7-3-2-4-8-16;/h2-4,7-10,13H,5-6,11-12,14H2,1H3;1H/q+1;/p-1