[4-fluoranyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]methylazanium

Systemtic Name: [4-fluoranyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]methylazanium Openeye Name: [4-fluoro-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]methylammonium CAS Name: [4-fluoro-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]methylammonium IUPAC Name: [4-fluoro-3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]methylazanium Traditional Name: [4-fluoro-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzyl]ammonium Formula: C12H20FN3O2S+2 MolecularWeight: 289.369503

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C[NH3+])F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C[NH3+])F

InChI

InChI=1S/C12H18FN3O2S/c1-15-4-6-16(7-5-15)19(17,18)12-8-10(9-14)2-3-11(12)13/h2-3,8H,4-7,9,14H2,1H3/p+2