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

Systemtic Name: 2-ethyl-7-fluoranyl-4-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine Openeye Name: 2-ethyl-7-fluoro-4-(4-methyl-4-oxido-piperazin-4-ium-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine CAS Name: 2-ethyl-7-fluoro-4-(4-methyl-4-oxido-1-piperazin-4-iumyl)-5H-thieno[3,2-c][1,5]benzodiazepine IUPAC Name: 2-ethyl-7-fluoro-4-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine Traditional Name: 2-ethyl-7-fluoro-4-(4-methyl-4-oxido-piperazin-4-ium-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine Formula: C18H21FN4OS MolecularWeight: 360.448943

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(NC3=C(C=CC(=C3)F)N=C2S1)N4CC[N+](CC4)(C)[O-]

Isomeric SMILES

CCC1=CC2=C(NC3=C(C=CC(=C3)F)N=C2S1)N4CC[N+](CC4)(C)[O-]

InChI

InChI=1S/C18H21FN4OS/c1-3-13-11-14-17(22-6-8-23(2,24)9-7-22)20-16-10-12(19)4-5-15(16)21-18(14)25-13/h4-5,10-11,20H,3,6-9H2,1-2H3