7-fluoranyl-2-methyl-4-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)-1H-pyrazolo[4,3-c][1,5]benzodiazepine hydrate

Systemtic Name: 7-fluoranyl-2-methyl-4-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)-1H-pyrazolo[4,3-c][1,5]benzodiazepine hydrate Openeye Name: 7-fluoro-2-methyl-4-(4-methyl-4-oxido-piperazin-4-ium-1-yl)-1H-pyrazolo[4,3-c][1,5]benzodiazepine hydrate CAS Name: 7-fluoro-2-methyl-4-(4-methyl-4-oxido-1-piperazin-4-iumyl)-1H-pyrazolo[4,3-c][1,5]benzodiazepine hydrate IUPAC Name: 7-fluoro-2-methyl-4-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-1H-pyrazolo[4,3-c][1,5]benzodiazepine hydrate Traditional Name: 7-fluoro-2-methyl-4-(4-methyl-4-oxido-piperazin-4-ium-1-yl)-1H-pyrazolo[4,3-c][1,5]benzodiazepine hydrate Formula: C16H21FN6O2 MolecularWeight: 348.375343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C2C(=NC3=C(C=C(C=C3)F)N=C2N4CC[N+](CC4)(C)[O-])N1.O

Isomeric SMILES

CN1C=C2C(=NC3=C(C=C(C=C3)F)N=C2N4CC[N+](CC4)(C)[O-])N1.O

InChI

InChI=1S/C16H19FN6O.H2O/c1-21-10-12-15(20-21)18-13-4-3-11(17)9-14(13)19-16(12)22-5-7-23(2,24)8-6-22;/h3-4,9-10H,5-8H2,1-2H3,(H,18,20);1H2