(4-tert-butylphenyl)methyl 2-azanylpyridin-1-ium-3-carboxylate

Systemtic Name: (4-tert-butylphenyl)methyl 2-azanylpyridin-1-ium-3-carboxylate Openeye Name: (4-tert-butylphenyl)methyl 2-aminopyridin-1-ium-3-carboxylate CAS Name: 2-amino-3-pyridin-1-iumcarboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 2-aminopyridin-1-ium-3-carboxylate Traditional Name: 2-aminopyridin-1-ium-3-carboxylic acid (4-tert-butylbenzyl) ester Formula: C17H21N2O2+ MolecularWeight: 285.36084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=C([NH+]=CC=C2)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=C([NH+]=CC=C2)N

InChI

InChI=1S/C17H20N2O2/c1-17(2,3)13-8-6-12(7-9-13)11-21-16(20)14-5-4-10-19-15(14)18/h4-10H,11H2,1-3H3,(H2,18,19)/p+1