2-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-ium-1-yl]-N-(prop-2-enylcarbamoyl)ethanamide

Systemtic Name: 2-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-ium-1-yl]-N-(prop-2-enylcarbamoyl)ethanamide Openeye Name: N-(allylcarbamoyl)-2-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazin-1-iumyl]-N-[oxo-(prop-2-enylamino)methyl]acetamide IUPAC Name: 2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(prop-2-enylcarbamoyl)acetamide Traditional Name: N-(allylcarbamoyl)-2-[4-(2-chloro-4-fluoro-benzyl)piperazin-1-ium-1-yl]acetamide Formula: C17H23ClFN4O2+ MolecularWeight: 369.841523

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)C[NH+]1CCN(CC1)CC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

C=CCNC(=O)NC(=O)C[NH+]1CCN(CC1)CC2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C17H22ClFN4O2/c1-2-5-20-17(25)21-16(24)12-23-8-6-22(7-9-23)11-13-3-4-14(19)10-15(13)18/h2-4,10H,1,5-9,11-12H2,(H2,20,21,24,25)/p+1