ethyl (2R)-1-[(4-chloranyl-3-nitro-phenyl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1-[(4-chloranyl-3-nitro-phenyl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[(4-chloro-3-nitro-phenyl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(4-chloro-3-nitrophenyl)methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[(4-chloro-3-nitrophenyl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-(4-chloro-3-nitro-benzyl)piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C15H20ClN2O4+ MolecularWeight: 327.7833

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN2O4/c1-2-22-15(19)13-5-3-4-8-17(13)10-11-6-7-12(16)14(9-11)18(20)21/h6-7,9,13H,2-5,8,10H2,1H3/p+1/t13-/m1/s1