4-(2-azanyl-2-oxidanylidene-ethyl)-4-(5-fluoranyl-2-methyl-phenyl)piperazin-4-ium-2-carboxamide

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)-4-(5-fluoranyl-2-methyl-phenyl)piperazin-4-ium-2-carboxamide Openeye Name: 4-(2-amino-2-oxo-ethyl)-4-(5-fluoro-2-methyl-phenyl)piperazin-4-ium-2-carboxamide CAS Name: 4-(2-amino-2-oxoethyl)-4-(5-fluoro-2-methylphenyl)-2-piperazin-4-iumcarboxamide IUPAC Name: 4-(2-amino-2-oxoethyl)-4-(5-fluoro-2-methylphenyl)piperazin-4-ium-2-carboxamide Traditional Name: 4-(2-amino-2-keto-ethyl)-4-(5-fluoro-2-methyl-phenyl)piperazin-4-ium-2-carboxamide Formula: C14H20FN4O2+ MolecularWeight: 295.332603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)[N+]2(CCNC(C2)C(=O)N)CC(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)F)[N+]2(CCNC(C2)C(=O)N)CC(=O)N

InChI

InChI=1S/C14H19FN4O2/c1-9-2-3-10(15)6-12(9)19(8-13(16)20)5-4-18-11(7-19)14(17)21/h2-3,6,11,18H,4-5,7-8H2,1H3,(H3-,16,17,20,21)/p+1