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

Systemtic Name: 1-(3-chlorophenyl)-3-[3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propyl]urea Openeye Name: 1-(3-chlorophenyl)-3-[3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propyl]urea CAS Name: 1-(3-chlorophenyl)-3-[3-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]propyl]urea IUPAC Name: 1-(3-chlorophenyl)-3-[3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propyl]urea Traditional Name: 1-(3-chlorophenyl)-3-[3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propyl]urea Formula: C20H25ClN5O3+ MolecularWeight: 418.8972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN5O3/c21-16-3-1-4-17(15-16)23-20(27)22-9-2-10-24-11-13-25(14-12-24)18-5-7-19(8-6-18)26(28)29/h1,3-8,15H,2,9-14H2,(H2,22,23,27)/p+1