2-fluoranyl-5-(4-propylpiperazin-4-ium-1-yl)sulfonyl-aniline

Systemtic Name: 2-fluoranyl-5-(4-propylpiperazin-4-ium-1-yl)sulfonyl-aniline Openeye Name: 2-fluoro-5-(4-propylpiperazin-4-ium-1-yl)sulfonyl-aniline CAS Name: 2-fluoro-5-[(4-propyl-1-piperazin-4-iumyl)sulfonyl]aniline IUPAC Name: 2-fluoro-5-(4-propylpiperazin-4-ium-1-yl)sulfonylaniline Traditional Name: [2-fluoro-5-(4-propylpiperazin-4-ium-1-yl)sulfonyl-phenyl]amine Formula: C13H21FN3O2S+ MolecularWeight: 302.388143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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