4-[[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole

Systemtic Name: 4-[[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole Openeye Name: 4-[[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-(3-thienyl)thiazole CAS Name: 4-[[4-(4-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-(3-thiophenyl)thiazole IUPAC Name: 4-[[4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole Traditional Name: 4-[(4-nosylpiperazin-1-ium-1-yl)methyl]-2-(3-thienyl)thiazole Formula: C18H19N4O4S3+ MolecularWeight: 451.56286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CSC=C3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CSC=C3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S3/c23-22(24)16-1-3-17(4-2-16)29(25,26)21-8-6-20(7-9-21)11-15-13-28-18(19-15)14-5-10-27-12-14/h1-5,10,12-13H,6-9,11H2/p+1