2-[[4-(1-oxidanidylpyridin-1-ium-2-yl)piperazin-1-yl]methyl]-1H-thieno[3,4-d]imidazole

Systemtic Name: 2-[[4-(1-oxidanidylpyridin-1-ium-2-yl)piperazin-1-yl]methyl]-1H-thieno[3,4-d]imidazole Openeye Name: 2-[[4-(1-oxidopyridin-1-ium-2-yl)piperazin-1-yl]methyl]-1H-thieno[3,4-d]imidazole CAS Name: 2-[[4-(1-oxido-2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1H-thieno[3,4-d]imidazole IUPAC Name: 2-[[4-(1-oxidopyridin-1-ium-2-yl)piperazin-1-yl]methyl]-1H-thieno[3,4-d]imidazole Traditional Name: 2-[[4-(1-oxidopyridin-1-ium-2-yl)piperazino]methyl]-1H-thien[3,4-d]imidazole Formula: C15H17N5OS MolecularWeight: 315.39338

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CSC=C3N2)C4=CC=CC=[N+]4[O-]

Isomeric SMILES

C1CN(CCN1CC2=NC3=CSC=C3N2)C4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C15H17N5OS/c21-20-4-2-1-3-15(20)19-7-5-18(6-8-19)9-14-16-12-10-22-11-13(12)17-14/h1-4,10-11H,5-9H2,(H,16,17)