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

Systemtic Name: 2-[2-[(4-ethoxyphenyl)methyl]-5-nitro-benzimidazol-1-yl]ethyl-diethyl-azanium chloride Openeye Name: 2-[2-[(4-ethoxyphenyl)methyl]-5-nitro-benzimidazol-1-yl]ethyl-diethyl-ammonium chloride CAS Name: 2-[2-[(4-ethoxyphenyl)methyl]-5-nitro-1-benzimidazolyl]ethyl-diethylammonium chloride IUPAC Name: 2-[2-[(4-ethoxyphenyl)methyl]-5-nitrobenzimidazol-1-yl]ethyl-diethylazanium chloride Traditional Name: 2-[2-(4-ethoxybenzyl)-5-nitro-benzimidazol-1-yl]ethyl-diethyl-ammonium chloride Formula: C22H29ClN4O3 MolecularWeight: 432.94366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3.ClH/c1-4-24(5-2)13-14-25-21-12-9-18(26(27)28)16-20(21)23-22(25)15-17-7-10-19(11-8-17)29-6-3;/h7-12,16H,4-6,13-15H2,1-3H3;1H