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

Systemtic Name: 2-[(4-fluoranylphenoxy)methyl]-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Openeye Name: 2-[(4-fluorophenoxy)methyl]-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]thiazole CAS Name: 2-[(4-fluorophenoxy)methyl]-4-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-[(4-fluorophenoxy)methyl]-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Traditional Name: 2-[(4-fluorophenoxy)methyl]-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]thiazole Formula: C20H23FN4OS+2 MolecularWeight: 386.486223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)COC3=CC=C(C=C3)F)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)COC3=CC=C(C=C3)F)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H21FN4OS/c21-16-4-6-18(7-5-16)26-14-20-23-17(15-27-20)13-24-9-11-25(12-10-24)19-3-1-2-8-22-19/h1-8,15H,9-14H2/p+2