1-[(5-chloranyl-1-methyl-imidazol-2-yl)methyl]-4-[4-(trifluoromethyloxy)phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(5-chloranyl-1-methyl-imidazol-2-yl)methyl]-4-[4-(trifluoromethyloxy)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-[(5-chloro-1-methyl-2-imidazolyl)methyl]-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]sulfonyl-piperazin-1-ium Formula: C16H19ClF3N4O3S+ MolecularWeight: 439.86027

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F)Cl

Isomeric SMILES

CN1C(=CN=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F)Cl

InChI

InChI=1S/C16H18ClF3N4O3S/c1-22-14(17)10-21-15(22)11-23-6-8-24(9-7-23)28(25,26)13-4-2-12(3-5-13)27-16(18,19)20/h2-5,10H,6-9,11H2,1H3/p+1