N-[(1S,2R)-1-(2-but-3-enylphenyl)-1-phenylselanyl-propan-2-yl]-1-phenyl-methanimine oxide

Systemtic Name: N-[(1S,2R)-1-(2-but-3-enylphenyl)-1-phenylselanyl-propan-2-yl]-1-phenyl-methanimine oxide Openeye Name: N-[(1R,2S)-2-(2-but-3-enylphenyl)-1-methyl-2-phenylselanyl-ethyl]-1-phenyl-methanimine oxide CAS Name: N-[(1S,2R)-1-(2-but-3-enylphenyl)-1-(phenylseleno)propan-2-yl]-1-phenylmethanimine oxide IUPAC Name: N-[(1S,2R)-1-(2-but-3-enylphenyl)-1-phenylselanylpropan-2-yl]-1-phenylmethanimine oxide Traditional Name: N-[(1R,2S)-2-(2-but-3-enylphenyl)-1-methyl-2-(phenylseleno)ethyl]-1-phenyl-methanimine oxide Formula: C26H27NOSe MolecularWeight: 448.45868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1CCC=C)[Se]C2=CC=CC=C2)[N+](=CC3=CC=CC=C3)[O-]

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1CCC=C)[Se]C2=CC=CC=C2)/[N+](=C/C3=CC=CC=C3)/[O-]

InChI

InChI=1S/C26H27NOSe/c1-3-4-15-23-16-11-12-19-25(23)26(29-24-17-9-6-10-18-24)21(2)27(28)20-22-13-7-5-8-14-22/h3,5-14,16-21,26H,1,4,15H2,2H3/b27-20-/t21-,26-/m1/s1