tert-butyl-[(4-nitrophenyl)methyl]-[(2R)-2-oxidanyl-3-phenoxy-propyl]azanium

Systemtic Name: tert-butyl-[(4-nitrophenyl)methyl]-[(2R)-2-oxidanyl-3-phenoxy-propyl]azanium Openeye Name: tert-butyl-[(2R)-2-hydroxy-3-phenoxy-propyl]-[(4-nitrophenyl)methyl]ammonium CAS Name: tert-butyl-[(2R)-2-hydroxy-3-phenoxypropyl]-[(4-nitrophenyl)methyl]ammonium IUPAC Name: tert-butyl-[(2R)-2-hydroxy-3-phenoxypropyl]-[(4-nitrophenyl)methyl]azanium Traditional Name: tert-butyl-[(2R)-2-hydroxy-3-phenoxy-propyl]-(4-nitrobenzyl)ammonium Formula: C20H27N2O4+ MolecularWeight: 359.43938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH+](CC1=CC=C(C=C1)[N+](=O)[O-])CC(COC2=CC=CC=C2)O

Isomeric SMILES

CC(C)(C)[NH+](CC1=CC=C(C=C1)[N+](=O)[O-])C[C@H](COC2=CC=CC=C2)O

InChI

InChI=1S/C20H26N2O4/c1-20(2,3)21(13-16-9-11-17(12-10-16)22(24)25)14-18(23)15-26-19-7-5-4-6-8-19/h4-12,18,23H,13-15H2,1-3H3/p+1/t18-/m1/s1