1-(3,5-dimethylphenyl)-N-hexyl-3H-benzimidazol-1-ium-5-carboxamide

Systemtic Name: 1-(3,5-dimethylphenyl)-N-hexyl-3H-benzimidazol-1-ium-5-carboxamide Openeye Name: 1-(3,5-dimethylphenyl)-N-hexyl-3H-benzimidazol-1-ium-5-carboxamide CAS Name: 1-(3,5-dimethylphenyl)-N-hexyl-3H-benzimidazol-1-ium-5-carboxamide IUPAC Name: 1-(3,5-dimethylphenyl)-N-hexyl-3H-benzimidazol-1-ium-5-carboxamide Traditional Name: 1-(3,5-dimethylphenyl)-N-hexyl-3H-benzimidazol-1-ium-5-carboxamide Formula: C22H28N3O+ MolecularWeight: 350.47722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC2=C(C=C1)[N+](=CN2)C3=CC(=CC(=C3)C)C

Isomeric SMILES

CCCCCCNC(=O)C1=CC2=C(C=C1)[N+](=CN2)C3=CC(=CC(=C3)C)C

InChI

InChI=1S/C22H27N3O/c1-4-5-6-7-10-23-22(26)18-8-9-21-20(14-18)24-15-25(21)19-12-16(2)11-17(3)13-19/h8-9,11-15H,4-7,10H2,1-3H3,(H,23,26)/p+1