4-(aminocarbonylamino)pent-2-ynyl-(4-fluorophenyl)-methyl-oxidanyl-azanium

Systemtic Name: 4-(aminocarbonylamino)pent-2-ynyl-(4-fluorophenyl)-methyl-oxidanyl-azanium Openeye Name: (4-fluorophenyl)-hydroxy-methyl-(4-ureidopent-2-ynyl)ammonium CAS Name: 4-(carbamoylamino)pent-2-ynyl-(4-fluorophenyl)-hydroxy-methylammonium IUPAC Name: 4-(carbamoylamino)pent-2-ynyl-(4-fluorophenyl)-hydroxy-methylazanium Traditional Name: (4-fluorophenyl)-hydroxy-methyl-(4-ureidopent-2-ynyl)ammonium Formula: C13H17FN3O2+ MolecularWeight: 266.291383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC[N+](C)(C1=CC=C(C=C1)F)O)NC(=O)N

Isomeric SMILES

CC(C#CC[N+](C)(C1=CC=C(C=C1)F)O)NC(=O)N

InChI

InChI=1S/C13H16FN3O2/c1-10(16-13(15)18)4-3-9-17(2,19)12-7-5-11(14)6-8-12/h5-8,10,19H,9H2,1-2H3,(H2-,15,16,18)/p+1