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

Systemtic Name: [3-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-4-fluoranyl-phenyl]methylazanium Openeye Name: [3-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-4-fluoro-phenyl]methylammonium CAS Name: [3-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-4-fluorophenyl]methylammonium IUPAC Name: [3-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-4-fluorophenyl]methylazanium Traditional Name: [3-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-4-fluoro-benzyl]ammonium Formula: C13H22FN3O2S+2 MolecularWeight: 303.396083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20FN3O2S/c1-2-16-5-7-17(8-6-16)20(18,19)13-9-11(10-15)3-4-12(13)14/h3-4,9H,2,5-8,10,15H2,1H3/p+2