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

Systemtic Name: 2-[3-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-4-fluoranyl-phenyl]ethylazanium Openeye Name: 2-[3-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-4-fluoro-phenyl]ethylammonium CAS Name: 2-[3-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-4-fluorophenyl]ethylammonium IUPAC Name: 2-[3-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-4-fluorophenyl]ethylazanium Traditional Name: 2-[3-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-4-fluoro-phenyl]ethylammonium Formula: C14H24FN3O2S+2 MolecularWeight: 317.422663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22FN3O2S/c1-2-17-7-9-18(10-8-17)21(19,20)14-11-12(5-6-16)3-4-13(14)15/h3-4,11H,2,5-10,16H2,1H3/p+2