(4-nitrophenyl) piperidin-1-ium-3-carboxylate bromide

Systemtic Name: (4-nitrophenyl) piperidin-1-ium-3-carboxylate bromide Openeye Name: (4-nitrophenyl) piperidin-1-ium-3-carboxylate bromide CAS Name: 3-piperidin-1-iumcarboxylic acid (4-nitrophenyl) ester bromide IUPAC Name: (4-nitrophenyl) piperidin-1-ium-3-carboxylate bromide Traditional Name: piperidin-1-ium-3-carboxylic acid (4-nitrophenyl) ester bromide Formula: C12H15BrN2O4 MolecularWeight: 331.1625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1CC(C[NH2+]C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C12H14N2O4.BrH/c15-12(9-2-1-7-13-8-9)18-11-5-3-10(4-6-11)14(16)17;/h3-6,9,13H,1-2,7-8H2;1H