N-(4-fluorophenyl)-2-[methyl-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]amino]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[methyl-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]amino]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[methyl-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]amino]acetamide CAS Name: N-(4-fluorophenyl)-2-[methyl-[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridin-1-iumyl]amino]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[methyl-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]amino]acetamide Traditional Name: N-(4-fluorophenyl)-2-[methyl-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-2-yl]amino]acetamide Formula: C19H26FN5O3S+2 MolecularWeight: 423.504843

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N(C)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N(C)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C19H24FN5O3S/c1-23-9-11-25(12-10-23)29(27,28)17-7-8-18(21-13-17)24(2)14-19(26)22-16-5-3-15(20)4-6-16/h3-8,13H,9-12,14H2,1-2H3,(H,22,26)/p+2