5-nitro-6-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]imidazo[2,1-b][1,3]thiazole

Systemtic Name: 5-nitro-6-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]imidazo[2,1-b][1,3]thiazole Openeye Name: 5-nitro-6-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]imidazo[2,1-b]thiazole CAS Name: 5-nitro-6-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]imidazo[2,1-b]thiazole IUPAC Name: 5-nitro-6-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]imidazo[2,1-b][1,3]thiazole Traditional Name: 5-nitro-6-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]imidazo[2,1-b]thiazole Formula: C15H17N6O2S+ MolecularWeight: 345.39948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN=CC=C2)C3=C(N4C=CSC4=N3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN=CC=C2)C3=C(N4C=CSC4=N3)[N+](=O)[O-]

InChI

InChI=1S/C15H16N6O2S/c22-21(23)14-13(17-15-20(14)8-9-24-15)19-6-4-18(5-7-19)11-12-2-1-3-16-10-12/h1-3,8-10H,4-7,11H2/p+1