[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxy-5-nitro-phenyl)methanone

Systemtic Name: [4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxy-5-nitro-phenyl)methanone Openeye Name: [4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxy-5-nitro-phenyl)methanone CAS Name: [4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(2-methoxy-5-nitrophenyl)methanone IUPAC Name: [4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxy-5-nitrophenyl)methanone Traditional Name: [4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]-(2-methoxy-5-nitro-phenyl)methanone Formula: C20H23FN3O5+ MolecularWeight: 404.412123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H22FN3O5/c1-28-18-5-3-15(21)11-14(18)13-22-7-9-23(10-8-22)20(25)17-12-16(24(26)27)4-6-19(17)29-2/h3-6,11-12H,7-10,13H2,1-2H3/p+1