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

Systemtic Name: 3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole-2-thione Openeye Name: 3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole-2-thione CAS Name: 3-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-1,3-benzothiazole-2-thione IUPAC Name: 3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole-2-thione Traditional Name: 3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole-2-thione Formula: C18H19N4O2S2+ MolecularWeight: 387.49906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3SC2=S)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3SC2=S)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O2S2/c23-22(24)15-7-5-14(6-8-15)20-11-9-19(10-12-20)13-21-16-3-1-2-4-17(16)26-18(21)25/h1-8H,9-13H2/p+1