1-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-11-ium-5-yl]ethanone

Systemtic Name: 1-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-11-ium-5-yl]ethanone Openeye Name: 1-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-11-ium-5-yl]ethanone CAS Name: 1-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-11-ium-5-yl]ethanone IUPAC Name: 1-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-11-ium-5-yl]ethanone Traditional Name: 1-(3,4-dimethylphenyl)-2-[3-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-11-ium-5-yl]ethanone Formula: C23H24F3N2O+ MolecularWeight: 401.44467

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24F3N2O/c1-15-7-8-17(12-16(15)2)21(29)14-28-20-13-18(23(24,25)26)9-10-19(20)27-11-5-3-4-6-22(27)28/h7-10,12-13H,3-6,11,14H2,1-2H3/q+1