[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-fluoranyl-3-nitro-phenyl)methanone

Systemtic Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-fluoranyl-3-nitro-phenyl)methanone Openeye Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-fluoro-3-nitro-phenyl)methanone CAS Name: [4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-(4-fluoro-3-nitrophenyl)methanone IUPAC Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-fluoro-3-nitrophenyl)methanone Traditional Name: (4-fluoro-3-nitro-phenyl)-(4-veratrylpiperazin-4-ium-1-yl)methanone Formula: C20H23FN3O5+ MolecularWeight: 404.412123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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