3-[[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole

Systemtic Name: 3-[[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole Openeye Name: 3-[[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-(2-thienyl)isoxazole CAS Name: 3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-5-thiophen-2-ylisoxazole IUPAC Name: 3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole Traditional Name: 3-[[4-(5-fluoro-2-methoxy-benzyl)piperazine-1,4-diium-1-yl]methyl]-5-(2-thienyl)isoxazole Formula: C20H24FN3O2S+2 MolecularWeight: 389.486863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CC[NH+](CC2)CC3=NOC(=C3)C4=CC=CS4

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CC[NH+](CC2)CC3=NOC(=C3)C4=CC=CS4

InChI

InChI=1S/C20H22FN3O2S/c1-25-18-5-4-16(21)11-15(18)13-23-6-8-24(9-7-23)14-17-12-19(26-22-17)20-3-2-10-27-20/h2-5,10-12H,6-9,13-14H2,1H3/p+2