tert-butyl 1-phenylazanylpiperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-phenylazanylpiperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-anilinopiperidin-1-ium-1-carboxylate CAS Name: 1-anilino-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-anilinopiperidin-1-ium-1-carboxylate Traditional Name: 1-anilinopiperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCCC1)NC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCCC1)NC2=CC=CC=C2

InChI

InChI=1S/C16H25N2O2/c1-16(2,3)20-15(19)18(12-8-5-9-13-18)17-14-10-6-4-7-11-14/h4,6-7,10-11,17H,5,8-9,12-13H2,1-3H3/q+1