ethyl (2R)-1-[(2-nitrophenyl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1-[(2-nitrophenyl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[(2-nitrophenyl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(2-nitrophenyl)methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[(2-nitrophenyl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-(2-nitrobenzyl)piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C15H21N2O4+ MolecularWeight: 293.33824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H]1CCCC[NH+]1CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O4/c1-2-21-15(18)14-9-5-6-10-16(14)11-12-7-3-4-8-13(12)17(19)20/h3-4,7-8,14H,2,5-6,9-11H2,1H3/p+1/t14-/m1/s1