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

Systemtic Name: (2S)-1-(4-nitrophenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-(4-nitrophenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-(4-nitrophenoxy)-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(4-nitrophenoxy)-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-(4-nitrophenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C14H21N2O4+ MolecularWeight: 281.32754

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C14H20N2O4/c17-13(10-15-8-2-1-3-9-15)11-20-14-6-4-12(5-7-14)16(18)19/h4-7,13,17H,1-3,8-11H2/p+1/t13-/m0/s1