1-(phenylmethyl)-3-[4-(trifluoromethyl)phenyl]sulfonyl-1,3-diazinan-1-ium

Systemtic Name: 1-(phenylmethyl)-3-[4-(trifluoromethyl)phenyl]sulfonyl-1,3-diazinan-1-ium Openeye Name: 1-benzyl-3-[4-(trifluoromethyl)phenyl]sulfonyl-hexahydropyrimidin-1-ium CAS Name: 1-(phenylmethyl)-3-[4-(trifluoromethyl)phenyl]sulfonyl-1,3-diazinan-1-ium IUPAC Name: 1-benzyl-3-[4-(trifluoromethyl)phenyl]sulfonyl-1,3-diazinan-1-ium Traditional Name: 1-benzyl-3-[4-(trifluoromethyl)phenyl]sulfonyl-hexahydropyrimidin-1-ium Formula: C18H20F3N2O2S+ MolecularWeight: 385.42381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19F3N2O2S/c19-18(20,21)16-7-9-17(10-8-16)26(24,25)23-12-4-11-22(14-23)13-15-5-2-1-3-6-15/h1-3,5-10H,4,11-14H2/p+1