4-[[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole

Systemtic Name: 4-[[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole Openeye Name: 4-[[4-(2-chloro-4-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-2-(3-thienyl)thiazole CAS Name: 4-[[4-(2-chloro-4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-2-(3-thiophenyl)thiazole IUPAC Name: 4-[[4-(2-chloro-4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole Traditional Name: 4-[[4-(2-chloro-4-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-2-(3-thienyl)thiazole Formula: C18H18ClN4O2S2+ MolecularWeight: 421.94412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O2S2/c19-16-9-15(23(24)25)1-2-17(16)22-6-4-21(5-7-22)10-14-12-27-18(20-14)13-3-8-26-11-13/h1-3,8-9,11-12H,4-7,10H2/p+1