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

Systemtic Name: 1-methyl-1-[(2-nitro-3-phenyl-1-benzofuran-5-yl)methyl]-4-phenyl-piperazin-1-ium iodide Openeye Name: 1-methyl-1-[(2-nitro-3-phenyl-benzofuran-5-yl)methyl]-4-phenyl-piperazin-1-ium iodide CAS Name: 1-methyl-1-[(2-nitro-3-phenyl-5-benzofuranyl)methyl]-4-phenylpiperazin-1-ium iodide IUPAC Name: 1-methyl-1-[(2-nitro-3-phenyl-1-benzofuran-5-yl)methyl]-4-phenylpiperazin-1-ium iodide Traditional Name: 1-methyl-1-[(2-nitro-3-phenyl-benzofuran-5-yl)methyl]-4-phenyl-piperazin-1-ium iodide Formula: C26H26IN3O3 MolecularWeight: 555.40741

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=CC=CC=C2)CC3=CC4=C(C=C3)OC(=C4C5=CC=CC=C5)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+]1(CCN(CC1)C2=CC=CC=C2)CC3=CC4=C(C=C3)OC(=C4C5=CC=CC=C5)[N+](=O)[O-].[I-]

InChI

InChI=1S/C26H26N3O3.HI/c1-29(16-14-27(15-17-29)22-10-6-3-7-11-22)19-20-12-13-24-23(18-20)25(26(32-24)28(30)31)21-8-4-2-5-9-21;/h2-13,18H,14-17,19H2,1H3;1H/q+1;/p-1