3-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole

Systemtic Name: 3-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole Openeye Name: 3-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-thienyl]-5-(trifluoromethyl)isoxazole CAS Name: 3-[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-thiophenyl]-5-(trifluoromethyl)isoxazole IUPAC Name: 3-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole Traditional Name: 3-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-thienyl]-5-(trifluoromethyl)isoxazole Formula: C13H15F3N3O3S2+ MolecularWeight: 382.40171

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(S2)C3=NOC(=C3)C(F)(F)F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(S2)C3=NOC(=C3)C(F)(F)F

InChI

InChI=1S/C13H14F3N3O3S2/c1-18-4-6-19(7-5-18)24(20,21)12-3-2-10(23-12)9-8-11(22-17-9)13(14,15)16/h2-3,8H,4-7H2,1H3/p+1