2-[4-fluoranyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]ethylazanium

Systemtic Name: 2-[4-fluoranyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]ethylazanium Openeye Name: 2-[4-fluoro-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]ethylammonium CAS Name: 2-[4-fluoro-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]ethylammonium IUPAC Name: 2-[4-fluoro-3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]ethylazanium Traditional Name: 2-[4-fluoro-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]ethylammonium Formula: C13H22FN3O2S+2 MolecularWeight: 303.396083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20FN3O2S/c1-16-6-8-17(9-7-16)20(18,19)13-10-11(4-5-15)2-3-12(13)14/h2-3,10H,4-9,15H2,1H3/p+2