4-[(1R)-2-azaniumyl-1-piperidin-1-ium-1-yl-ethyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(1R)-2-azaniumyl-1-piperidin-1-ium-1-yl-ethyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(1R)-2-azaniumyl-1-piperidin-1-ium-1-yl-ethyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(1R)-2-ammonio-1-(1-piperidin-1-iumyl)ethyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(1R)-2-azaniumyl-1-piperidin-1-ium-1-ylethyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(1R)-2-ammonio-1-piperidin-1-ium-1-yl-ethyl]-2-methoxy-6-nitro-phenolate Formula: C14H22N3O4+ MolecularWeight: 296.34218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C(C[NH3+])[NH+]2CCCCC2

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])[C@H](C[NH3+])[NH+]2CCCCC2

InChI

InChI=1S/C14H21N3O4/c1-21-13-8-10(7-11(14(13)18)17(19)20)12(9-15)16-5-3-2-4-6-16/h7-8,12,18H,2-6,9,15H2,1H3/p+1/t12-/m0/s1