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

Systemtic Name: 1-[3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propyl]-3-phenyl-urea Openeye Name: 1-[3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propyl]-3-phenyl-urea CAS Name: 1-[3-[4-(2-nitrophenyl)-1-piperazin-1-iumyl]propyl]-3-phenylurea IUPAC Name: 1-[3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propyl]-3-phenylurea Traditional Name: 1-[3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propyl]-3-phenyl-urea Formula: C20H26N5O3+ MolecularWeight: 384.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O3/c26-20(22-17-7-2-1-3-8-17)21-11-6-12-23-13-15-24(16-14-23)18-9-4-5-10-19(18)25(27)28/h1-5,7-10H,6,11-16H2,(H2,21,22,26)/p+1