(2S)-1-(4-nitropyrazol-1-yl)-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-(4-nitropyrazol-1-yl)-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-(4-nitropyrazol-1-yl)-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-(4-nitro-1-pyrazolyl)-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(4-nitropyrazol-1-yl)-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-(4-nitropyrazol-1-yl)-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C11H19N4O3+ MolecularWeight: 255.29356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(CN2C=C(C=N2)[N+](=O)[O-])O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](CN2C=C(C=N2)[N+](=O)[O-])O

InChI

InChI=1S/C11H18N4O3/c16-11(8-13-4-2-1-3-5-13)9-14-7-10(6-12-14)15(17)18/h6-7,11,16H,1-5,8-9H2/p+1/t11-/m0/s1