2-(4-fluorophenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole

Systemtic Name: 2-(4-fluorophenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Openeye Name: 2-(4-fluorophenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]thiazole CAS Name: 2-(4-fluorophenyl)-4-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-(4-fluorophenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Traditional Name: 2-(4-fluorophenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]thiazole Formula: C19H21FN4S+2 MolecularWeight: 356.460243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=C(C=C3)F)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=C(C=C3)F)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H19FN4S/c20-16-6-4-15(5-7-16)19-22-17(14-25-19)13-23-9-11-24(12-10-23)18-3-1-2-8-21-18/h1-8,14H,9-13H2/p+2