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

Systemtic Name: 4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-2-phenyl-1,3-thiazole Openeye Name: 4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-2-phenyl-thiazole CAS Name: 4-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-2-phenylthiazole IUPAC Name: 4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-2-phenyl-1,3-thiazole Traditional Name: 4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-2-phenyl-thiazole Formula: C20H21N4O2S+ MolecularWeight: 381.47134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O2S/c25-24(26)19-8-6-18(7-9-19)23-12-10-22(11-13-23)14-17-15-27-20(21-17)16-4-2-1-3-5-16/h1-9,15H,10-14H2/p+1