2-[4-[2-[(5-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[2-[(5-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[2-(5-chloro-2-fluoro-anilino)-2-oxo-ethyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[2-(5-chloro-2-fluoro-anilino)-2-keto-ethyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C17H23ClFN4O2+ MolecularWeight: 369.841523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)Cl)F

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)Cl)F

InChI

InChI=1S/C17H22ClFN4O2/c18-12-1-4-14(19)15(9-12)21-17(25)11-23-7-5-22(6-8-23)10-16(24)20-13-2-3-13/h1,4,9,13H,2-3,5-8,10-11H2,(H,20,24)(H,21,25)/p+1