tert-butyl-[2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium

Systemtic Name: tert-butyl-[2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-tert-butyl-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-oxo-ethyl]ammonium CAS Name: tert-butyl-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-oxoethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-tert-butyl-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-oxoethyl]azanium Traditional Name: benzyl-tert-butyl-[2-(4-hydroxy-3-methylol-phenyl)-2-keto-ethyl]ammonium Formula: C20H26NO3+ MolecularWeight: 328.42534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH+](CC1=CC=CC=C1)CC(=O)C2=CC(=C(C=C2)O)CO

Isomeric SMILES

CC(C)(C)[NH+](CC1=CC=CC=C1)CC(=O)C2=CC(=C(C=C2)O)CO

InChI

InChI=1S/C20H25NO3/c1-20(2,3)21(12-15-7-5-4-6-8-15)13-19(24)16-9-10-18(23)17(11-16)14-22/h4-11,22-23H,12-14H2,1-3H3/p+1