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

Systemtic Name: 2,4-bis(fluoranyl)-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Openeye Name: 2,4-difluoro-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide CAS Name: 2,4-difluoro-N-[3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]propyl]benzamide IUPAC Name: 2,4-difluoro-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Traditional Name: 2,4-difluoro-N-[3-(4-pyridin-1-ium-2-ylpiperazino)sulfonylpropyl]benzamide Formula: C19H23F2N4O3S+ MolecularWeight: 425.472726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22F2N4O3S/c20-15-5-6-16(17(21)14-15)19(26)23-8-3-13-29(27,28)25-11-9-24(10-12-25)18-4-1-2-7-22-18/h1-2,4-7,14H,3,8-13H2,(H,23,26)/p+1