2-[2-[(4-ethoxyphenyl)methyl]-5-nitro-benzimidazol-1-yl]ethyl-triethyl-azanium iodide

Systemtic Name: 2-[2-[(4-ethoxyphenyl)methyl]-5-nitro-benzimidazol-1-yl]ethyl-triethyl-azanium iodide Openeye Name: 2-[2-[(4-ethoxyphenyl)methyl]-5-nitro-benzimidazol-1-yl]ethyl-triethyl-ammonium iodide CAS Name: 2-[2-[(4-ethoxyphenyl)methyl]-5-nitro-1-benzimidazolyl]ethyl-triethylammonium iodide IUPAC Name: 2-[2-[(4-ethoxyphenyl)methyl]-5-nitrobenzimidazol-1-yl]ethyl-triethylazanium iodide Traditional Name: 2-[2-(4-ethoxybenzyl)-5-nitro-benzimidazol-1-yl]ethyl-triethyl-ammonium iodide Formula: C24H33IN4O3 MolecularWeight: 552.44829

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC3=CC=C(C=C3)OCC.[I-]

Isomeric SMILES

CC[N+](CC)(CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC3=CC=C(C=C3)OCC.[I-]

InChI

InChI=1S/C24H33N4O3.HI/c1-5-28(6-2,7-3)16-15-26-23-14-11-20(27(29)30)18-22(23)25-24(26)17-19-9-12-21(13-10-19)31-8-4;/h9-14,18H,5-8,15-17H2,1-4H3;1H/q+1;/p-1