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

Systemtic Name: 7-fluoranyl-2-methyl-4-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine Openeye Name: 7-fluoro-2-methyl-4-(4-methyl-4-oxido-piperazin-4-ium-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine CAS Name: 7-fluoro-2-methyl-4-(4-methyl-4-oxido-1-piperazin-4-iumyl)-5H-thieno[3,2-c][1,5]benzodiazepine IUPAC Name: 7-fluoro-2-methyl-4-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine Traditional Name: 7-fluoro-2-methyl-4-(4-methyl-4-oxido-piperazin-4-ium-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine Formula: C17H19FN4OS MolecularWeight: 346.422363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(NC3=C(C=CC(=C3)F)N=C2S1)N4CC[N+](CC4)(C)[O-]

Isomeric SMILES

CC1=CC2=C(NC3=C(C=CC(=C3)F)N=C2S1)N4CC[N+](CC4)(C)[O-]

InChI

InChI=1S/C17H19FN4OS/c1-11-9-13-16(21-5-7-22(2,23)8-6-21)19-15-10-12(18)3-4-14(15)20-17(13)24-11/h3-4,9-10,19H,5-8H2,1-2H3