(3S)-1-[(4-nitrophenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[(4-nitrophenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[(4-nitrophenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(4-nitrophenyl)methyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[(4-nitrophenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(4-nitrobenzyl)piperidin-1-ium-3-carboxylate Formula: C13H16N2O4 MolecularWeight: 264.27714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H16N2O4/c16-13(17)11-2-1-7-14(9-11)8-10-3-5-12(6-4-10)15(18)19/h3-6,11H,1-2,7-9H2,(H,16,17)/t11-/m0/s1