1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-N,N,3,5-tetramethyl-pyrazole-4-sulfonamide

Systemtic Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-N,N,3,5-tetramethyl-pyrazole-4-sulfonamide Openeye Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-N,N,3,5-tetramethyl-pyrazole-4-sulfonamide CAS Name: 1-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-N,N,3,5-tetramethyl-4-pyrazolesulfonamide IUPAC Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide Traditional Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-N,N,3,5-tetramethyl-pyrazole-4-sulfonamide Formula: C18H27FN5O2S+ MolecularWeight: 396.502683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)C)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=C(C(=NN1C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)C)S(=O)(=O)N(C)C

InChI

InChI=1S/C18H26FN5O2S/c1-14-18(27(25,26)21(3)4)15(2)24(20-14)13-22-9-11-23(12-10-22)17-7-5-16(19)6-8-17/h5-8H,9-13H2,1-4H3/p+1