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

Systemtic Name: 2-(2-chlorophenyl)-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-(2-chlorophenyl)-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]thiazole CAS Name: 2-(2-chlorophenyl)-4-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-(2-chlorophenyl)-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2-(2-chlorophenyl)-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]thiazole Formula: C20H20ClN4O2S+ MolecularWeight: 415.9164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3Cl)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3Cl)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN4O2S/c21-19-4-2-1-3-18(19)20-22-15(14-28-20)13-23-9-11-24(12-10-23)16-5-7-17(8-6-16)25(26)27/h1-8,14H,9-13H2/p+1