3-[[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-nitro-1,3-benzoxazol-2-one

Systemtic Name: 3-[[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-nitro-1,3-benzoxazol-2-one CAS Name: 3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-5-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[[4-(5-fluoro-2-methoxy-benzyl)piperazine-1,4-diium-1-yl]methyl]-5-nitro-1,3-benzoxazol-2-one Formula: C20H23FN4O5+2 MolecularWeight: 418.418823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CC[NH+](CC2)CN3C4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CC[NH+](CC2)CN3C4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C20H21FN4O5/c1-29-18-4-2-15(21)10-14(18)12-22-6-8-23(9-7-22)13-24-17-11-16(25(27)28)3-5-19(17)30-20(24)26/h2-5,10-11H,6-9,12-13H2,1H3/p+2