1-(2-ethoxyethyl)-5-methyl-3-[(4-nitrophenyl)methyl]benzimidazol-1-ium chloride

Systemtic Name: 1-(2-ethoxyethyl)-5-methyl-3-[(4-nitrophenyl)methyl]benzimidazol-1-ium chloride Openeye Name: 1-(2-ethoxyethyl)-5-methyl-3-[(4-nitrophenyl)methyl]benzimidazol-1-ium chloride CAS Name: 1-(2-ethoxyethyl)-5-methyl-3-[(4-nitrophenyl)methyl]benzimidazol-1-ium chloride IUPAC Name: 1-(2-ethoxyethyl)-5-methyl-3-[(4-nitrophenyl)methyl]benzimidazol-1-ium chloride Traditional Name: 1-(2-ethoxyethyl)-5-methyl-3-(4-nitrobenzyl)benzimidazol-1-ium chloride Formula: C19H22ClN3O3 MolecularWeight: 375.84928

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC[N+]1=CN(C2=C1C=CC(=C2)C)CC3=CC=C(C=C3)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CCOCC[N+]1=CN(C2=C1C=CC(=C2)C)CC3=CC=C(C=C3)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C19H22N3O3.ClH/c1-3-25-11-10-20-14-21(19-12-15(2)4-9-18(19)20)13-16-5-7-17(8-6-16)22(23)24;/h4-9,12,14H,3,10-11,13H2,1-2H3;1H/q+1;/p-1