4-[[4-(5-nitropyridin-2-yl)piperazin-1-ium-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole

Systemtic Name: 4-[[4-(5-nitropyridin-2-yl)piperazin-1-ium-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole Openeye Name: 4-[[4-(5-nitro-2-pyridyl)piperazin-1-ium-1-yl]methyl]-2-(3-thienyl)thiazole CAS Name: 4-[[4-(5-nitro-2-pyridinyl)-1-piperazin-1-iumyl]methyl]-2-(3-thiophenyl)thiazole IUPAC Name: 4-[[4-(5-nitropyridin-2-yl)piperazin-1-ium-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole Traditional Name: 4-[[4-(5-nitro-2-pyridyl)piperazin-1-ium-1-yl]methyl]-2-(3-thienyl)thiazole Formula: C17H18N5O2S2+ MolecularWeight: 388.48712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O2S2/c23-22(24)15-1-2-16(18-9-15)21-6-4-20(5-7-21)10-14-12-26-17(19-14)13-3-8-25-11-13/h1-3,8-9,11-12H,4-7,10H2/p+1