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

Systemtic Name: pyrazin-2-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: pyrazin-2-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-4-ium-1-yl]methanone CAS Name: 2-pyrazinyl-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: pyrazin-2-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-4-ium-1-yl]methanone Traditional Name: pyrazin-2-yl-[4-[4-(trifluoromethyl)benzyl]-1,4-diazepan-4-ium-1-yl]methanone Formula: C18H20F3N4O+ MolecularWeight: 365.37281

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=NC=CN=C2)CC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=NC=CN=C2)CC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H19F3N4O/c19-18(20,21)15-4-2-14(3-5-15)13-24-8-1-9-25(11-10-24)17(26)16-12-22-6-7-23-16/h2-7,12H,1,8-11,13H2/p+1