tert-butyl-[(2S)-2-oxidanyl-2-[7-[(1R)-1-oxidanylethyl]-1-benzofuran-2-yl]ethyl]azanium

Systemtic Name: tert-butyl-[(2S)-2-oxidanyl-2-[7-[(1R)-1-oxidanylethyl]-1-benzofuran-2-yl]ethyl]azanium Openeye Name: tert-butyl-[(2S)-2-hydroxy-2-[7-[(1R)-1-hydroxyethyl]benzofuran-2-yl]ethyl]ammonium CAS Name: tert-butyl-[(2S)-2-hydroxy-2-[7-[(1R)-1-hydroxyethyl]-2-benzofuranyl]ethyl]ammonium IUPAC Name: tert-butyl-[(2S)-2-hydroxy-2-[7-[(1R)-1-hydroxyethyl]-1-benzofuran-2-yl]ethyl]azanium Traditional Name: tert-butyl-[(2S)-2-hydroxy-2-[7-[(1R)-1-hydroxyethyl]benzofuran-2-yl]ethyl]ammonium Formula: C16H24NO3+ MolecularWeight: 278.36666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=C1OC(=C2)C(C[NH2+]C(C)(C)C)O)O

Isomeric SMILES

C[C@H](C1=CC=CC2=C1OC(=C2)[C@H](C[NH2+]C(C)(C)C)O)O

InChI

InChI=1S/C16H23NO3/c1-10(18)12-7-5-6-11-8-14(20-15(11)12)13(19)9-17-16(2,3)4/h5-8,10,13,17-19H,9H2,1-4H3/p+1/t10-,13+/m1/s1