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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O4/c16-13(17)11-5-7-14(8-6-11)9-10-1-3-12(4-2-10)15(18)19/h1-4,11H,5-9H2,(H,16,17)