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

Systemtic Name: 4-fluoranyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Openeye Name: 4-fluoro-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]benzamide CAS Name: 4-fluoro-N-[2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]ethyl]benzamide IUPAC Name: 4-fluoro-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Traditional Name: 4-fluoro-N-[2-(4-pyridin-1-ium-2-ylpiperazino)sulfonylethyl]benzamide Formula: C18H22FN4O3S+ MolecularWeight: 393.455683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCNC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCNC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H21FN4O3S/c19-16-6-4-15(5-7-16)18(24)21-9-14-27(25,26)23-12-10-22(11-13-23)17-3-1-2-8-20-17/h1-8H,9-14H2,(H,21,24)/p+1