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

Systemtic Name: 4-(4-fluorophenyl)-2-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]-1,3-thiazole Openeye Name: 4-(4-fluorophenyl)-2-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]thiazole CAS Name: 4-(4-fluorophenyl)-2-[4-[(4-nitrophenyl)methyl]-1-piperazin-4-iumyl]thiazole IUPAC Name: 4-(4-fluorophenyl)-2-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]-1,3-thiazole Traditional Name: 4-(4-fluorophenyl)-2-[4-(4-nitrobenzyl)piperazin-4-ium-1-yl]thiazole Formula: C20H20FN4O2S+ MolecularWeight: 399.461803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H19FN4O2S/c21-17-5-3-16(4-6-17)19-14-28-20(22-19)24-11-9-23(10-12-24)13-15-1-7-18(8-2-15)25(26)27/h1-8,14H,9-13H2/p+1