1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-ium

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-ium Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-ium CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-ium IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-ium Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-ium Formula: C16H21ClFN4O2S+ MolecularWeight: 387.879943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=C(C(=NN1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C16H20ClFN4O2S/c1-11-16(12(2)20-19-11)25(23,24)22-8-6-21(7-9-22)10-13-14(17)4-3-5-15(13)18/h3-5H,6-10H2,1-2H3,(H,19,20)/p+1