1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-4-propyl-piperazin-4-ium

Systemtic Name: 1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-4-propyl-piperazin-4-ium Openeye Name: 1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-4-propyl-piperazin-4-ium CAS Name: 1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-4-propylpiperazin-4-ium IUPAC Name: 1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-4-propylpiperazin-4-ium Traditional Name: 1-(2-nitro-4-triflyl-phenyl)-4-propyl-piperazin-4-ium Formula: C14H19F3N3O4S+ MolecularWeight: 382.37857

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18F3N3O4S/c1-2-5-18-6-8-19(9-7-18)12-4-3-11(10-13(12)20(21)22)25(23,24)14(15,16)17/h3-4,10H,2,5-9H2,1H3/p+1