N-(4-ethoxybutyl)-2-methyl-1-(3-methylphenyl)-3H-benzimidazol-1-ium-5-carboxamide

Systemtic Name: N-(4-ethoxybutyl)-2-methyl-1-(3-methylphenyl)-3H-benzimidazol-1-ium-5-carboxamide Openeye Name: N-(4-ethoxybutyl)-2-methyl-1-(m-tolyl)-3H-benzimidazol-1-ium-5-carboxamide CAS Name: N-(4-ethoxybutyl)-2-methyl-1-(3-methylphenyl)-3H-benzimidazol-1-ium-5-carboxamide IUPAC Name: N-(4-ethoxybutyl)-2-methyl-1-(3-methylphenyl)-3H-benzimidazol-1-ium-5-carboxamide Traditional Name: N-(4-ethoxybutyl)-2-methyl-1-(m-tolyl)-3H-benzimidazol-1-ium-5-carboxamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCCNC(=O)C1=CC2=C(C=C1)[N+](=C(N2)C)C3=CC=CC(=C3)C

Isomeric SMILES

CCOCCCCNC(=O)C1=CC2=C(C=C1)[N+](=C(N2)C)C3=CC=CC(=C3)C

InChI

InChI=1S/C22H27N3O2/c1-4-27-13-6-5-12-23-22(26)18-10-11-21-20(15-18)24-17(3)25(21)19-9-7-8-16(2)14-19/h7-11,14-15H,4-6,12-13H2,1-3H3,(H,23,26)/p+1