1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-(4-fluorophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(4-fluorophenyl)sulfonyl-piperazin-1-ium Formula: C16H21FN5O4S+ MolecularWeight: 398.432443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20FN5O4S/c1-12-16(22(23)24)13(2)21(18-12)11-19-7-9-20(10-8-19)27(25,26)15-5-3-14(17)4-6-15/h3-6H,7-11H2,1-2H3/p+1