ethyl (2R)-1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-(4,5-dimethoxy-2-nitro-benzyl)piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C17H25N2O6+ MolecularWeight: 353.3902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O6/c1-4-25-17(20)13-7-5-6-8-18(13)11-12-9-15(23-2)16(24-3)10-14(12)19(21)22/h9-10,13H,4-8,11H2,1-3H3/p+1/t13-/m1/s1