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

Systemtic Name: 3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propan-1-ol Openeye Name: 3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propan-1-ol CAS Name: 3-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-1-propanol IUPAC Name: 3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propan-1-ol Traditional Name: 3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propan-1-ol Formula: C13H20N3O3+ MolecularWeight: 266.3162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O3/c17-11-1-6-14-7-9-15(10-8-14)12-2-4-13(5-3-12)16(18)19/h2-5,17H,1,6-11H2/p+1