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

Systemtic Name: (4-phenethyl-1,4-diazepan-4-ium-1-yl)-[2-(trifluoromethyl)phenyl]methanone Openeye Name: (4-phenethyl-1,4-diazepan-4-ium-1-yl)-[2-(trifluoromethyl)phenyl]methanone CAS Name: (4-phenethyl-1,4-diazepan-4-ium-1-yl)-[2-(trifluoromethyl)phenyl]methanone IUPAC Name: (4-phenethyl-1,4-diazepan-4-ium-1-yl)-[2-(trifluoromethyl)phenyl]methanone Traditional Name: (4-phenethyl-1,4-diazepan-4-ium-1-yl)-[2-(trifluoromethyl)phenyl]methanone Formula: C21H24F3N2O+ MolecularWeight: 377.42327

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=CC=CC=C2C(F)(F)F)CCC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=CC=CC=C2C(F)(F)F)CCC3=CC=CC=C3

InChI

InChI=1S/C21H23F3N2O/c22-21(23,24)19-10-5-4-9-18(19)20(27)26-13-6-12-25(15-16-26)14-11-17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2/p+1