tert-butyl-[(2S)-2-[3-(hydroxymethyl)-4-phenylmethoxy-phenyl]-2-oxidanyl-ethyl]azanium

Systemtic Name: tert-butyl-[(2S)-2-[3-(hydroxymethyl)-4-phenylmethoxy-phenyl]-2-oxidanyl-ethyl]azanium Openeye Name: [(2S)-2-[4-benzyloxy-3-(hydroxymethyl)phenyl]-2-hydroxy-ethyl]-tert-butyl-ammonium CAS Name: tert-butyl-[(2S)-2-hydroxy-2-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]ethyl]ammonium IUPAC Name: tert-butyl-[(2S)-2-hydroxy-2-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]ethyl]azanium Traditional Name: [(2S)-2-(4-benzoxy-3-methylol-phenyl)-2-hydroxy-ethyl]-tert-butyl-ammonium Formula: C20H28NO3+ MolecularWeight: 330.44122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CC(C1=CC(=C(C=C1)OCC2=CC=CC=C2)CO)O

Isomeric SMILES

CC(C)(C)[NH2+]C[C@H](C1=CC(=C(C=C1)OCC2=CC=CC=C2)CO)O

InChI

InChI=1S/C20H27NO3/c1-20(2,3)21-12-18(23)16-9-10-19(17(11-16)13-22)24-14-15-7-5-4-6-8-15/h4-11,18,21-23H,12-14H2,1-3H3/p+1/t18-/m1/s1