5-(4-fluorophenyl)-4-methyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole

Systemtic Name: 5-(4-fluorophenyl)-4-methyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole Openeye Name: 5-(4-fluorophenyl)-4-methyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]isoxazole CAS Name: 5-(4-fluorophenyl)-4-methyl-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 5-(4-fluorophenyl)-4-methyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole Traditional Name: 5-(4-fluorophenyl)-4-methyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]isoxazole Formula: C20H23FN4O+2 MolecularWeight: 354.421223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(ON=C1C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(ON=C1C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H21FN4O/c1-15-18(23-26-20(15)16-5-7-17(21)8-6-16)14-24-10-12-25(13-11-24)19-4-2-3-9-22-19/h2-9H,10-14H2,1H3/p+2