3-fluoranyl-4-methyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]benzamide

Systemtic Name: 3-fluoranyl-4-methyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Openeye Name: 3-fluoro-4-methyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]benzamide CAS Name: 3-fluoro-4-methyl-N-[2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]ethyl]benzamide IUPAC Name: 3-fluoro-4-methyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Traditional Name: 3-fluoro-4-methyl-N-[2-(4-pyridin-1-ium-2-ylpiperazino)sulfonylethyl]benzamide Formula: C19H24FN4O3S+ MolecularWeight: 407.482263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)F

InChI

InChI=1S/C19H23FN4O3S/c1-15-5-6-16(14-17(15)20)19(25)22-8-13-28(26,27)24-11-9-23(10-12-24)18-4-2-3-7-21-18/h2-7,14H,8-13H2,1H3,(H,22,25)/p+1