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

Systemtic Name: 1-(2-methoxyethyl)-3-[(4-nitrophenyl)methyl]benzimidazol-3-ium chloride Openeye Name: 1-(2-methoxyethyl)-3-[(4-nitrophenyl)methyl]benzimidazol-3-ium chloride CAS Name: 1-(2-methoxyethyl)-3-[(4-nitrophenyl)methyl]benzimidazol-3-ium chloride IUPAC Name: 1-(2-methoxyethyl)-3-[(4-nitrophenyl)methyl]benzimidazol-3-ium chloride Traditional Name: 1-(2-methoxyethyl)-3-(4-nitrobenzyl)benzimidazol-3-ium chloride Formula: C17H18ClN3O3 MolecularWeight: 347.79612

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=[N+](C2=CC=CC=C21)CC3=CC=C(C=C3)[N+](=O)[O-].[Cl-]

Isomeric SMILES

COCCN1C=[N+](C2=CC=CC=C21)CC3=CC=C(C=C3)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C17H18N3O3.ClH/c1-23-11-10-18-13-19(17-5-3-2-4-16(17)18)12-14-6-8-15(9-7-14)20(21)22;/h2-9,13H,10-12H2,1H3;1H/q+1;/p-1