tert-butyl 2-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-carboxylate

Systemtic Name: tert-butyl 2-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-carboxylate Openeye Name: tert-butyl 2-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-carboxylate CAS Name: 2-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-ium-2-carboxylate Traditional Name: 2-methylol-3,4-dihydro-1H-isoquinolin-2-ium-2-carboxylic acid tert-butyl ester Formula: C15H22NO3+ MolecularWeight: 264.34008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCC2=CC=CC=C2C1)CO

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCC2=CC=CC=C2C1)CO

InChI

InChI=1S/C15H22NO3/c1-15(2,3)19-14(18)16(11-17)9-8-12-6-4-5-7-13(12)10-16/h4-7,17H,8-11H2,1-3H3/q+1