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

Systemtic Name: N-(4-butylphenyl)-2-[3-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-11-ium-5-yl]ethanamide Openeye Name: N-(4-butylphenyl)-2-[3-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-11-ium-5-yl]acetamide CAS Name: N-(4-butylphenyl)-2-[3-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-11-ium-5-yl]acetamide IUPAC Name: N-(4-butylphenyl)-2-[3-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-11-ium-5-yl]acetamide Traditional Name: N-(4-butylphenyl)-2-[3-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-11-ium-5-yl]acetamide Formula: C25H29F3N3O+ MolecularWeight: 444.51247

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CN2C3=[N+](CCCCC3)C4=C2C=C(C=C4)C(F)(F)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CN2C3=[N+](CCCCC3)C4=C2C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C25H28F3N3O/c1-2-3-7-18-9-12-20(13-10-18)29-23(32)17-31-22-16-19(25(26,27)28)11-14-21(22)30-15-6-4-5-8-24(30)31/h9-14,16H,2-8,15,17H2,1H3/p+1