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

Systemtic Name: 3,4-bis(fluoranyl)-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Openeye Name: 3,4-difluoro-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]benzamide CAS Name: 3,4-difluoro-N-[2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]ethyl]benzamide IUPAC Name: 3,4-difluoro-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Traditional Name: 3,4-difluoro-N-[2-(4-pyridin-1-ium-2-ylpiperazino)sulfonylethyl]benzamide Formula: C18H21F2N4O3S+ MolecularWeight: 411.446146

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C18H20F2N4O3S/c19-15-5-4-14(13-16(15)20)18(25)22-7-12-28(26,27)24-10-8-23(9-11-24)17-3-1-2-6-21-17/h1-6,13H,7-12H2,(H,22,25)/p+1