4-[(1R)-2-azaniumyl-1-piperidin-1-ium-1-yl-ethyl]-2-nitro-phenolate

Systemtic Name: 4-[(1R)-2-azaniumyl-1-piperidin-1-ium-1-yl-ethyl]-2-nitro-phenolate Openeye Name: 4-[(1R)-2-azaniumyl-1-piperidin-1-ium-1-yl-ethyl]-2-nitro-phenolate CAS Name: 4-[(1R)-2-ammonio-1-(1-piperidin-1-iumyl)ethyl]-2-nitrophenolate IUPAC Name: 4-[(1R)-2-azaniumyl-1-piperidin-1-ium-1-ylethyl]-2-nitrophenolate Traditional Name: 4-[(1R)-2-ammonio-1-piperidin-1-ium-1-yl-ethyl]-2-nitro-phenolate Formula: C13H20N3O3+ MolecularWeight: 266.3162

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(C[NH3+])C2=CC(=C(C=C2)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](C[NH3+])C2=CC(=C(C=C2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O3/c14-9-12(15-6-2-1-3-7-15)10-4-5-13(17)11(8-10)16(18)19/h4-5,8,12,17H,1-3,6-7,9,14H2/p+1/t12-/m0/s1