ethyl (2R)-1-[(5-nitrothiophen-2-yl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1-[(5-nitrothiophen-2-yl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[(5-nitro-2-thienyl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(5-nitro-2-thiophenyl)methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[(5-nitrothiophen-2-yl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[(5-nitro-2-thienyl)methyl]piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C13H19N2O4S+ MolecularWeight: 299.36596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H]1CCCC[NH+]1CC2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O4S/c1-2-19-13(16)11-5-3-4-8-14(11)9-10-6-7-12(20-10)15(17)18/h6-7,11H,2-5,8-9H2,1H3/p+1/t11-/m1/s1