1-(4-methoxyphenyl)-3-methyl-2-(4-nitrophenyl)-4,5-dihydroimidazol-3-ium iodide

Systemtic Name: 1-(4-methoxyphenyl)-3-methyl-2-(4-nitrophenyl)-4,5-dihydroimidazol-3-ium iodide Openeye Name: 1-(4-methoxyphenyl)-3-methyl-2-(4-nitrophenyl)-4,5-dihydroimidazol-3-ium iodide CAS Name: 1-(4-methoxyphenyl)-3-methyl-2-(4-nitrophenyl)-4,5-dihydroimidazol-3-ium iodide IUPAC Name: 1-(4-methoxyphenyl)-3-methyl-2-(4-nitrophenyl)-4,5-dihydroimidazol-3-ium iodide Traditional Name: 1-(4-methoxyphenyl)-3-methyl-2-(4-nitrophenyl)-2-imidazolin-3-ium iodide Formula: C17H18IN3O3 MolecularWeight: 439.24759

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(CC1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+]1=C(N(CC1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)[N+](=O)[O-].[I-]

InChI

InChI=1S/C17H18N3O3.HI/c1-18-11-12-19(14-7-9-16(23-2)10-8-14)17(18)13-3-5-15(6-4-13)20(21)22;/h3-10H,11-12H2,1-2H3;1H/q+1;/p-1