2-[4-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[4-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[4-[2-(3-fluoroanilino)-2-oxo-ethyl]piperazine-1,4-diium-1-yl]-N-prop-2-ynyl-acetamide CAS Name: 2-[4-[2-(3-fluoroanilino)-2-oxoethyl]-1-piperazine-1,4-diiumyl]-N-prop-2-ynylacetamide IUPAC Name: 2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-prop-2-ynylacetamide Traditional Name: 2-[4-[2-(3-fluoroanilino)-2-keto-ethyl]piperazine-1,4-diium-1-yl]-N-propargyl-acetamide Formula: C17H23FN4O2+2 MolecularWeight: 334.388523

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)C[NH+]1CC[NH+](CC1)CC(=O)NC2=CC(=CC=C2)F

Isomeric SMILES

C#CCNC(=O)C[NH+]1CC[NH+](CC1)CC(=O)NC2=CC(=CC=C2)F

InChI

InChI=1S/C17H21FN4O2/c1-2-6-19-16(23)12-21-7-9-22(10-8-21)13-17(24)20-15-5-3-4-14(18)11-15/h1,3-5,11H,6-10,12-13H2,(H,19,23)(H,20,24)/p+2