2-nitro-4-[[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]phenolate

Systemtic Name: 2-nitro-4-[[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]phenolate Openeye Name: 2-nitro-4-[[(2R)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]phenolate CAS Name: 2-nitro-4-[[(2R)-2-(3-pyridinyl)-1-piperidin-1-iumyl]methyl]phenolate IUPAC Name: 2-nitro-4-[[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]phenolate Traditional Name: 2-nitro-4-[[(2R)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]phenolate Formula: C17H19N3O3 MolecularWeight: 313.35106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=CN=CC=C2)CC3=CC(=C(C=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+]([C@H](C1)C2=CN=CC=C2)CC3=CC(=C(C=C3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O3/c21-17-7-6-13(10-16(17)20(22)23)12-19-9-2-1-5-15(19)14-4-3-8-18-11-14/h3-4,6-8,10-11,15,21H,1-2,5,9,12H2/t15-/m1/s1