4-[(4-azanylpiperidin-1-ium-1-yl)methyl]-2-nitro-phenolate

Systemtic Name: 4-[(4-azanylpiperidin-1-ium-1-yl)methyl]-2-nitro-phenolate Openeye Name: 4-[(4-aminopiperidin-1-ium-1-yl)methyl]-2-nitro-phenolate CAS Name: 4-[(4-amino-1-piperidin-1-iumyl)methyl]-2-nitrophenolate IUPAC Name: 4-[(4-aminopiperidin-1-ium-1-yl)methyl]-2-nitrophenolate Traditional Name: 4-[(4-aminopiperidin-1-ium-1-yl)methyl]-2-nitro-phenolate Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N)CC2=CC(=C(C=C2)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1N)CC2=CC(=C(C=C2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O3/c13-10-3-5-14(6-4-10)8-9-1-2-12(16)11(7-9)15(17)18/h1-2,7,10,16H,3-6,8,13H2