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

Systemtic Name: 1-thiophen-2-yl-2-[3-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-11-ium-5-yl]ethanone Openeye Name: 1-(2-thienyl)-2-[3-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-11-ium-5-yl]ethanone CAS Name: 1-thiophen-2-yl-2-[3-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-11-ium-5-yl]ethanone IUPAC Name: 1-thiophen-2-yl-2-[3-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-11-ium-5-yl]ethanone Traditional Name: 1-(2-thienyl)-2-[3-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-11-ium-5-yl]ethanone Formula: C19H18F3N2OS+ MolecularWeight: 379.41923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=[N+](CC1)C3=C(N2CC(=O)C4=CC=CS4)C=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CCC2=[N+](CC1)C3=C(N2CC(=O)C4=CC=CS4)C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H18F3N2OS/c20-19(21,22)13-7-8-14-15(11-13)24(12-16(25)17-5-4-10-26-17)18-6-2-1-3-9-23(14)18/h4-5,7-8,10-11H,1-3,6,9,12H2/q+1