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

Systemtic Name: 5-nitro-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]imidazo[2,1-b][1,3]thiazole Openeye Name: 6-(4-benzylpiperazin-4-ium-1-yl)-5-nitro-imidazo[2,1-b]thiazole CAS Name: 5-nitro-6-[4-(phenylmethyl)-1-piperazin-4-iumyl]imidazo[2,1-b]thiazole IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-yl)-5-nitroimidazo[2,1-b][1,3]thiazole Traditional Name: 6-(4-benzylpiperazin-4-ium-1-yl)-5-nitro-imidazo[2,1-b]thiazole Formula: C16H18N5O2S+ MolecularWeight: 344.41142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O2S/c22-21(23)15-14(17-16-20(15)10-11-24-16)19-8-6-18(7-9-19)12-13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2/p+1