4-methyl-4-[(2-nitro-3-phenyl-1-benzofuran-5-yl)methyl]morpholin-4-ium iodide

Systemtic Name: 4-methyl-4-[(2-nitro-3-phenyl-1-benzofuran-5-yl)methyl]morpholin-4-ium iodide Openeye Name: 4-methyl-4-[(2-nitro-3-phenyl-benzofuran-5-yl)methyl]morpholin-4-ium iodide CAS Name: 4-methyl-4-[(2-nitro-3-phenyl-5-benzofuranyl)methyl]morpholin-4-ium iodide IUPAC Name: 4-methyl-4-[(2-nitro-3-phenyl-1-benzofuran-5-yl)methyl]morpholin-4-ium iodide Traditional Name: 4-methyl-4-[(2-nitro-3-phenyl-benzofuran-5-yl)methyl]morpholin-4-ium iodide Formula: C20H21IN2O4 MolecularWeight: 480.29621

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CC2=CC3=C(C=C2)OC(=C3C4=CC=CC=C4)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+]1(CCOCC1)CC2=CC3=C(C=C2)OC(=C3C4=CC=CC=C4)[N+](=O)[O-].[I-]

InChI

InChI=1S/C20H21N2O4.HI/c1-22(9-11-25-12-10-22)14-15-7-8-18-17(13-15)19(20(26-18)21(23)24)16-5-3-2-4-6-16;/h2-8,13H,9-12,14H2,1H3;1H/q+1;/p-1