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

Systemtic Name: 2-methyl-4-[4-oxidanidyl-4-(trideuteriomethyl)piperazin-4-ium-1-yl]-5H-thieno[3,2-c][1,5]benzodiazepine Openeye Name: 2-methyl-4-[4-oxido-4-(trideuteriomethyl)piperazin-4-ium-1-yl]-5H-thieno[3,2-c][1,5]benzodiazepine CAS Name: 2-methyl-4-[4-oxido-4-(trideuteriomethyl)-1-piperazin-4-iumyl]-5H-thieno[3,2-c][1,5]benzodiazepine IUPAC Name: 2-methyl-4-[4-oxido-4-(trideuteriomethyl)piperazin-4-ium-1-yl]-5H-thieno[3,2-c][1,5]benzodiazepine Traditional Name: 2-methyl-4-[4-oxido-4-(trideuteriomethyl)piperazin-4-ium-1-yl]-5H-thieno[3,2-c][1,5]benzodiazepine Formula: C17H20N4OS MolecularWeight: 331.450385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(NC3=CC=CC=C3N=C2S1)N4CC[N+](CC4)(C)[O-]

Isomeric SMILES

[2H]C([2H])([2H])[N+]1(CCN(CC1)C2=C3C=C(SC3=NC4=CC=CC=C4N2)C)[O-]

InChI

InChI=1S/C17H20N4OS/c1-12-11-13-16(20-7-9-21(2,22)10-8-20)18-14-5-3-4-6-15(14)19-17(13)23-12/h3-6,11,18H,7-10H2,1-2H3/i2D3