tert-butyl 1-(3-nitro-4-oxidanyl-phenyl)piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-(3-nitro-4-oxidanyl-phenyl)piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-(4-hydroxy-3-nitro-phenyl)piperidin-1-ium-1-carboxylate CAS Name: 1-(4-hydroxy-3-nitrophenyl)-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(4-hydroxy-3-nitrophenyl)piperidin-1-ium-1-carboxylate Traditional Name: 1-(4-hydroxy-3-nitro-phenyl)piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C16H23N2O5+ MolecularWeight: 323.36422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCCC1)C2=CC(=C(C=C2)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCCC1)C2=CC(=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C16H22N2O5/c1-16(2,3)23-15(20)18(9-5-4-6-10-18)12-7-8-14(19)13(11-12)17(21)22/h7-8,11H,4-6,9-10H2,1-3H3/p+1