2-[4-[(2S,3R)-3-ethyl-2,3-diphenyl-oxiran-2-yl]phenoxy]-N,N-dimethyl-ethanamine oxide

Systemtic Name: 2-[4-[(2S,3R)-3-ethyl-2,3-diphenyl-oxiran-2-yl]phenoxy]-N,N-dimethyl-ethanamine oxide Openeye Name: 2-[4-[(2S,3R)-3-ethyl-2,3-diphenyl-oxiran-2-yl]phenoxy]-N,N-dimethyl-ethanamine oxide CAS Name: 2-[4-[(2S,3R)-3-ethyl-2,3-diphenyl-2-oxiranyl]phenoxy]-N,N-dimethylethanamine oxide IUPAC Name: 2-[4-[(2S,3R)-3-ethyl-2,3-diphenyloxiran-2-yl]phenoxy]-N,N-dimethylethanamine oxide Traditional Name: 2-[4-[(2S,3R)-3-ethyl-2,3-diphenyl-oxiran-2-yl]phenoxy]-N,N-dimethyl-ethanamine oxide Formula: C26H29NO3 MolecularWeight: 403.51336

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(O1)(C2=CC=CC=C2)C3=CC=C(C=C3)OCC[N+](C)(C)[O-])C4=CC=CC=C4

Isomeric SMILES

CC[C@]1([C@](O1)(C2=CC=CC=C2)C3=CC=C(C=C3)OCC[N+](C)(C)[O-])C4=CC=CC=C4

InChI

InChI=1S/C26H29NO3/c1-4-25(21-11-7-5-8-12-21)26(30-25,22-13-9-6-10-14-22)23-15-17-24(18-16-23)29-20-19-27(2,3)28/h5-18H,4,19-20H2,1-3H3/t25-,26+/m1/s1