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

Systemtic Name: 2-[[4-(1-oxidanidylpyridin-1-ium-2-yl)piperidin-1-yl]methyl]-1H-thieno[3,4-d]imidazole Openeye Name: 2-[[4-(1-oxidopyridin-1-ium-2-yl)-1-piperidyl]methyl]-1H-thieno[3,4-d]imidazole CAS Name: 2-[[4-(1-oxido-2-pyridin-1-iumyl)-1-piperidinyl]methyl]-1H-thieno[3,4-d]imidazole IUPAC Name: 2-[[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]methyl]-1H-thieno[3,4-d]imidazole Traditional Name: 2-[[4-(1-oxidopyridin-1-ium-2-yl)piperidino]methyl]-1H-thien[3,4-d]imidazole Formula: C16H18N4OS MolecularWeight: 314.40532

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=[N+]2[O-])CC3=NC4=CSC=C4N3

Isomeric SMILES

C1CN(CCC1C2=CC=CC=[N+]2[O-])CC3=NC4=CSC=C4N3

InChI

InChI=1S/C16H18N4OS/c21-20-6-2-1-3-15(20)12-4-7-19(8-5-12)9-16-17-13-10-22-11-14(13)18-16/h1-3,6,10-12H,4-5,7-9H2,(H,17,18)