4-(5-methoxy-2-phenyl-1-benzofuran-3-yl)-1,1-dimethyl-piperazine-1,4-diium iodide

Systemtic Name: 4-(5-methoxy-2-phenyl-1-benzofuran-3-yl)-1,1-dimethyl-piperazine-1,4-diium iodide Openeye Name: 4-(5-methoxy-2-phenyl-benzofuran-3-yl)-1,1-dimethyl-piperazine-1,4-diium iodide CAS Name: 4-(5-methoxy-2-phenyl-3-benzofuranyl)-1,1-dimethylpiperazine-1,4-diium iodide IUPAC Name: 4-(5-methoxy-2-phenyl-1-benzofuran-3-yl)-1,1-dimethylpiperazine-1,4-diium iodide Traditional Name: 4-(5-methoxy-2-phenyl-benzofuran-3-yl)-1,1-dimethyl-piperazine-1,4-diium iodide Formula: C21H26IN2O2+ MolecularWeight: 465.34781

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC[NH+](CC1)C2=C(OC3=C2C=C(C=C3)OC)C4=CC=CC=C4)C.[I-]

Isomeric SMILES

C[N+]1(CC[NH+](CC1)C2=C(OC3=C2C=C(C=C3)OC)C4=CC=CC=C4)C.[I-]

InChI

InChI=1S/C21H25N2O2.HI/c1-23(2)13-11-22(12-14-23)20-18-15-17(24-3)9-10-19(18)25-21(20)16-7-5-4-6-8-16;/h4-10,15H,11-14H2,1-3H3;1H/q+1;