2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl 4-fluoranylbenzoate

Systemtic Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl 4-fluoranylbenzoate Openeye Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid 2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]ethyl ester IUPAC Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl ester Formula: C19H21FN3O4+ MolecularWeight: 374.386143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC(=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCOC(=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20FN3O4/c20-16-3-1-15(2-4-16)19(24)27-14-13-21-9-11-22(12-10-21)17-5-7-18(8-6-17)23(25)26/h1-8H,9-14H2/p+1