tert-butyl 3-azanyl-1-phenyl-piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 3-azanyl-1-phenyl-piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 3-amino-1-phenyl-piperidin-1-ium-1-carboxylate CAS Name: 3-amino-1-phenyl-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-amino-1-phenylpiperidin-1-ium-1-carboxylate Traditional Name: 3-amino-1-phenyl-piperidin-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(CCCC(C1)N)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCC(C1)N)C2=CC=CC=C2

InChI

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