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

Systemtic Name: N,N-diethyl-1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3,5-dimethyl-pyrazole-4-sulfonamide Openeye Name: N,N-diethyl-1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3,5-dimethyl-pyrazole-4-sulfonamide CAS Name: N,N-diethyl-1-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-3,5-dimethyl-4-pyrazolesulfonamide IUPAC Name: N,N-diethyl-1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3,5-dimethylpyrazole-4-sulfonamide Traditional Name: N,N-diethyl-1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3,5-dimethyl-pyrazole-4-sulfonamide Formula: C20H31FN5O2S+ MolecularWeight: 424.555843

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(N(N=C1C)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(N(N=C1C)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C20H30FN5O2S/c1-5-25(6-2)29(27,28)20-16(3)22-26(17(20)4)15-23-11-13-24(14-12-23)19-9-7-18(21)8-10-19/h7-10H,5-6,11-15H2,1-4H3/p+1