1-(quinolin-8-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-(quinolin-8-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-(8-quinolylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-(8-quinolinylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-(quinolin-8-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-(8-quinolylmethyl)-4-[2-(trifluoromethyl)benzyl]-1,4-diazepan-1-ium-5-one Formula: C23H23F3N3O+ MolecularWeight: 414.44343

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1=O)CC2=CC=CC=C2C(F)(F)F)CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1C[NH+](CCN(C1=O)CC2=CC=CC=C2C(F)(F)F)CC3=CC=CC4=C3N=CC=C4

InChI

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