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

Systemtic Name: 3-fluoranyl-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Openeye Name: 3-fluoro-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide CAS Name: 3-fluoro-N-[3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]propyl]benzamide IUPAC Name: 3-fluoro-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Traditional Name: 3-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(=CC=C3)F

Isomeric SMILES

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

InChI

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