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

Systemtic Name: 1-(3,5-dimethylphenyl)-N-octyl-3H-benzimidazol-1-ium-5-carboxamide Openeye Name: 1-(3,5-dimethylphenyl)-N-octyl-3H-benzimidazol-1-ium-5-carboxamide CAS Name: 1-(3,5-dimethylphenyl)-N-octyl-3H-benzimidazol-1-ium-5-carboxamide IUPAC Name: 1-(3,5-dimethylphenyl)-N-octyl-3H-benzimidazol-1-ium-5-carboxamide Traditional Name: 1-(3,5-dimethylphenyl)-N-octyl-3H-benzimidazol-1-ium-5-carboxamide Formula: C24H32N3O+ MolecularWeight: 378.53038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O/c1-4-5-6-7-8-9-12-25-24(28)20-10-11-23-22(16-20)26-17-27(23)21-14-18(2)13-19(3)15-21/h10-11,13-17H,4-9,12H2,1-3H3,(H,25,28)/p+1