quinolin-2-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-4-ium-1-yl]methanone

Systemtic Name: quinolin-2-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: 2-quinolyl-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-4-ium-1-yl]methanone CAS Name: 2-quinolinyl-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: quinolin-2-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-4-ium-1-yl]methanone Traditional Name: 2-quinolyl-[4-[4-(trifluoromethyl)benzyl]-1,4-diazepan-4-ium-1-yl]methanone Formula: C23H23F3N3O+ MolecularWeight: 414.44343

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=NC3=CC=CC=C3C=C2)CC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=NC3=CC=CC=C3C=C2)CC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C23H22F3N3O/c24-23(25,26)19-9-6-17(7-10-19)16-28-12-3-13-29(15-14-28)22(30)21-11-8-18-4-1-2-5-20(18)27-21/h1-2,4-11H,3,12-16H2/p+1