N-(2-chloranyl-4-methyl-phenyl)-2-[3-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-11-ium-5-yl]ethanamide

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-2-[3-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-11-ium-5-yl]ethanamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-2-[3-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-11-ium-5-yl]acetamide CAS Name: N-(2-chloro-4-methylphenyl)-2-[3-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-11-ium-5-yl]acetamide IUPAC Name: N-(2-chloro-4-methylphenyl)-2-[3-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-11-ium-5-yl]acetamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-2-[3-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-11-ium-5-yl]acetamide Formula: C22H22ClF3N3O+ MolecularWeight: 436.87779

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CN2C3=[N+](CCCCC3)C4=C2C=C(C=C4)C(F)(F)F)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CN2C3=[N+](CCCCC3)C4=C2C=C(C=C4)C(F)(F)F)Cl

InChI

InChI=1S/C22H21ClF3N3O/c1-14-6-8-17(16(23)11-14)27-20(30)13-29-19-12-15(22(24,25)26)7-9-18(19)28-10-4-2-3-5-21(28)29/h6-9,11-12H,2-5,10,13H2,1H3/p+1