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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23FN4O3S/c20-17-7-5-16(6-8-17)19(25)22-10-3-15-28(26,27)24-13-11-23(12-14-24)18-4-1-2-9-21-18/h1-2,4-9H,3,10-15H2,(H,22,25)/p+1