2-(2-fluoranylphenoxy)-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]ethanamide

Systemtic Name: 2-(2-fluoranylphenoxy)-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]ethanamide Openeye Name: 2-(2-fluorophenoxy)-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide CAS Name: 2-(2-fluorophenoxy)-N-[3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]propyl]acetamide IUPAC Name: 2-(2-fluorophenoxy)-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide Traditional Name: 2-(2-fluorophenoxy)-N-[3-(4-pyridin-1-ium-2-ylpiperazino)sulfonylpropyl]acetamide Formula: C20H26FN4O4S+ MolecularWeight: 437.508243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCCNC(=O)COC3=CC=CC=C3F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCCNC(=O)COC3=CC=CC=C3F

InChI

InChI=1S/C20H25FN4O4S/c21-17-6-1-2-7-18(17)29-16-20(26)23-10-5-15-30(27,28)25-13-11-24(12-14-25)19-8-3-4-9-22-19/h1-4,6-9H,5,10-16H2,(H,23,26)/p+1