1-(2-fluorophenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)-2,1,3-benzoxadiazol-7-yl]urea

Systemtic Name: 1-(2-fluorophenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)-2,1,3-benzoxadiazol-7-yl]urea Openeye Name: 1-(2-fluorophenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)-2,1,3-benzoxadiazol-7-yl]urea CAS Name: 1-(2-fluorophenyl)-3-[4-(4-methyl-1-piperazin-4-iumyl)-2,1,3-benzoxadiazol-7-yl]urea IUPAC Name: 1-(2-fluorophenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)-2,1,3-benzoxadiazol-7-yl]urea Traditional Name: 1-(2-fluorophenyl)-3-[7-(4-methylpiperazin-4-ium-1-yl)benzofurazan-4-yl]urea Formula: C18H20FN6O2+ MolecularWeight: 371.388803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C3=NON=C23)NC(=O)NC4=CC=CC=C4F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C3=NON=C23)NC(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C18H19FN6O2/c1-24-8-10-25(11-9-24)15-7-6-14(16-17(15)23-27-22-16)21-18(26)20-13-5-3-2-4-12(13)19/h2-7H,8-11H2,1H3,(H2,20,21,26)/p+1