1-(2-nitrophenyl)-3-piperidin-1-ium-1-yl-propan-2-ol bromide

Systemtic Name: 1-(2-nitrophenyl)-3-piperidin-1-ium-1-yl-propan-2-ol bromide Openeye Name: 1-(2-nitrophenyl)-3-piperidin-1-ium-1-yl-propan-2-ol bromide CAS Name: 1-(2-nitrophenyl)-3-(1-piperidin-1-iumyl)-2-propanol bromide IUPAC Name: 1-(2-nitrophenyl)-3-piperidin-1-ium-1-ylpropan-2-ol bromide Traditional Name: 1-(2-nitrophenyl)-3-piperidin-1-ium-1-yl-propan-2-ol bromide Formula: C14H21BrN2O3 MolecularWeight: 345.23214

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(CC2=CC=CC=C2[N+](=O)[O-])O.[Br-]

Isomeric SMILES

C1CC[NH+](CC1)CC(CC2=CC=CC=C2[N+](=O)[O-])O.[Br-]

InChI

InChI=1S/C14H20N2O3.BrH/c17-13(11-15-8-4-1-5-9-15)10-12-6-2-3-7-14(12)16(18)19;/h2-3,6-7,13,17H,1,4-5,8-11H2;1H