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

Systemtic Name: 1-(2-methoxyethyl)-5-methyl-3-[(4-nitrophenyl)methyl]benzimidazol-1-ium chloride Openeye Name: 1-(2-methoxyethyl)-5-methyl-3-[(4-nitrophenyl)methyl]benzimidazol-1-ium chloride CAS Name: 1-(2-methoxyethyl)-5-methyl-3-[(4-nitrophenyl)methyl]benzimidazol-1-ium chloride IUPAC Name: 1-(2-methoxyethyl)-5-methyl-3-[(4-nitrophenyl)methyl]benzimidazol-1-ium chloride Traditional Name: 1-(2-methoxyethyl)-5-methyl-3-(4-nitrobenzyl)benzimidazol-1-ium chloride Formula: C18H20ClN3O3 MolecularWeight: 361.8227

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](=CN2CC3=CC=C(C=C3)[N+](=O)[O-])CCOC.[Cl-]

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](=CN2CC3=CC=C(C=C3)[N+](=O)[O-])CCOC.[Cl-]

InChI

InChI=1S/C18H20N3O3.ClH/c1-14-3-8-17-18(11-14)20(13-19(17)9-10-24-2)12-15-4-6-16(7-5-15)21(22)23;/h3-8,11,13H,9-10,12H2,1-2H3;1H/q+1;/p-1