4-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-prop-2-ynyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-prop-2-ynyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(3-fluoroanilino)-2-oxo-ethyl]-N-prop-2-ynyl-piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(3-fluoroanilino)-2-oxoethyl]-N-prop-2-ynyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(3-fluoroanilino)-2-oxoethyl]-N-prop-2-ynylpiperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(3-fluoroanilino)-2-keto-ethyl]-N-propargyl-piperazin-4-ium-1-carboxamide Formula: C16H20FN4O2+ MolecularWeight: 319.354003

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC(=CC=C2)F

Isomeric SMILES

C#CCNC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC(=CC=C2)F

InChI

InChI=1S/C16H19FN4O2/c1-2-6-18-16(23)21-9-7-20(8-10-21)12-15(22)19-14-5-3-4-13(17)11-14/h1,3-5,11H,6-10,12H2,(H,18,23)(H,19,22)/p+1