1-(2-fluorophenyl)-3-[3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propyl]urea

Systemtic Name: 1-(2-fluorophenyl)-3-[3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propyl]urea Openeye Name: 1-(2-fluorophenyl)-3-[3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propyl]urea CAS Name: 1-(2-fluorophenyl)-3-[3-[4-(2-nitrophenyl)-1-piperazin-1-iumyl]propyl]urea IUPAC Name: 1-(2-fluorophenyl)-3-[3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propyl]urea Traditional Name: 1-(2-fluorophenyl)-3-[3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propyl]urea Formula: C20H25FN5O3+ MolecularWeight: 402.442603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNC(=O)NC2=CC=CC=C2F)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCCNC(=O)NC2=CC=CC=C2F)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H24FN5O3/c21-16-6-1-2-7-17(16)23-20(27)22-10-5-11-24-12-14-25(15-13-24)18-8-3-4-9-19(18)26(28)29/h1-4,6-9H,5,10-15H2,(H2,22,23,27)/p+1