methyl 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-nitro-benzoate

Systemtic Name: methyl 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-nitro-benzoate Openeye Name: methyl 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-nitro-benzoate CAS Name: 2-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-nitrobenzoate Traditional Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-nitro-benzoic acid methyl ester Formula: C19H21FN3O4+ MolecularWeight: 374.386143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN3O4/c1-27-19(24)16-3-2-4-18(23(25)26)17(16)13-21-9-11-22(12-10-21)15-7-5-14(20)6-8-15/h2-8H,9-13H2,1H3/p+1