1-(4-nitrophenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]urea

Systemtic Name: 1-(4-nitrophenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]urea Openeye Name: 1-(4-nitrophenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]urea CAS Name: 1-(4-nitrophenyl)-3-[[1-oxo-3-(4-phenyl-1-piperazin-1-iumyl)propyl]amino]urea IUPAC Name: 1-(4-nitrophenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]urea Traditional Name: 1-(4-nitrophenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]urea Formula: C20H25N6O4+ MolecularWeight: 413.4503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H24N6O4/c27-19(22-23-20(28)21-16-6-8-18(9-7-16)26(29)30)10-11-24-12-14-25(15-13-24)17-4-2-1-3-5-17/h1-9H,10-15H2,(H,22,27)(H2,21,23,28)/p+1