3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propylazanium

Systemtic Name: 3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propylazanium Openeye Name: 3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propylammonium CAS Name: 3-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]propylammonium IUPAC Name: 3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propylazanium Traditional Name: 3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propylammonium Formula: C13H22N4O2+2 MolecularWeight: 266.33938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC[NH3+])C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCC[NH3+])C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H20N4O2/c14-6-1-7-15-8-10-16(11-9-15)12-2-4-13(5-3-12)17(18)19/h2-5H,1,6-11,14H2/p+2