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

Systemtic Name: 4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-N-pyridin-3-yl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(4-fluoroanilino)-2-oxo-ethyl]-N-(3-pyridyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(3-pyridinyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(4-fluoroanilino)-2-oxoethyl]-N-pyridin-3-ylpiperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(4-fluoroanilino)-2-keto-ethyl]-N-(3-pyridyl)piperazin-4-ium-1-carboxamide Formula: C18H21FN5O2+ MolecularWeight: 358.390043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)NC3=CN=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)NC3=CN=CC=C3

InChI

InChI=1S/C18H20FN5O2/c19-14-3-5-15(6-4-14)21-17(25)13-23-8-10-24(11-9-23)18(26)22-16-2-1-7-20-12-16/h1-7,12H,8-11,13H2,(H,21,25)(H,22,26)/p+1