N-heptyl-1-(3-methylphenyl)-3H-benzimidazol-1-ium-5-carboxamide

Systemtic Name: N-heptyl-1-(3-methylphenyl)-3H-benzimidazol-1-ium-5-carboxamide Openeye Name: N-heptyl-1-(m-tolyl)-3H-benzimidazol-1-ium-5-carboxamide CAS Name: N-heptyl-1-(3-methylphenyl)-3H-benzimidazol-1-ium-5-carboxamide IUPAC Name: N-heptyl-1-(3-methylphenyl)-3H-benzimidazol-1-ium-5-carboxamide Traditional Name: N-heptyl-1-(m-tolyl)-3H-benzimidazol-1-ium-5-carboxamide Formula: C22H28N3O+ MolecularWeight: 350.47722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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