2-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-(2-nitrophenyl)-1-piperazin-1-iumyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Formula: C18H19N4O2S+ MolecularWeight: 355.43406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O2S/c23-22(24)16-7-3-2-6-15(16)21-11-9-20(10-12-21)13-18-19-14-5-1-4-8-17(14)25-18/h1-8H,9-13H2/p+1