1-(3-chlorophenyl)-3-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl]urea

Systemtic Name: 1-(3-chlorophenyl)-3-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl]urea Openeye Name: 1-(3-chlorophenyl)-3-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl]urea CAS Name: 1-(3-chlorophenyl)-3-[2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]ethyl]urea IUPAC Name: 1-(3-chlorophenyl)-3-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl]urea Traditional Name: 1-(3-chlorophenyl)-3-[2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethyl]urea Formula: C19H23ClN5O3+ MolecularWeight: 404.87062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN5O3/c20-15-2-1-3-16(14-15)22-19(26)21-8-9-23-10-12-24(13-11-23)17-4-6-18(7-5-17)25(27)28/h1-7,14H,8-13H2,(H2,21,22,26)/p+1