1-methyl-4-[3-nitro-4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-[3-nitro-4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-[3-nitro-4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-methyl-4-[3-nitro-4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-methyl-4-[3-nitro-4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-methyl-4-[3-nitro-4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonyl-piperazin-1-ium Formula: C18H19F3N3O5S+ MolecularWeight: 446.42077

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F3N3O5S/c1-22-8-10-23(11-9-22)30(27,28)15-6-7-17(16(12-15)24(25)26)29-14-4-2-13(3-5-14)18(19,20)21/h2-7,12H,8-11H2,1H3/p+1