1-[4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-[4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-[4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-[4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]sulfonyl-4-methyl-piperazin-4-ium Formula: C18H18F3N4O7S+ MolecularWeight: 491.41833

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H17F3N4O7S/c1-22-6-8-23(9-7-22)33(30,31)14-4-2-13(3-5-14)32-17-15(24(26)27)10-12(18(19,20)21)11-16(17)25(28)29/h2-5,10-11H,6-9H2,1H3/p+1