[(2S,3S)-3-(4-ethoxyphenyl)-3-oxidanyl-2-phenyl-hex-5-enyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(2S,3S)-3-(4-ethoxyphenyl)-3-oxidanyl-2-phenyl-hex-5-enyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S,3S)-3-(4-ethoxyphenyl)-3-hydroxy-2-phenyl-hex-5-enyl]-methyl-ammonium CAS Name: [(2S,3S)-3-(4-ethoxyphenyl)-3-hydroxy-2-phenylhex-5-enyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S,3S)-3-(4-ethoxyphenyl)-3-hydroxy-2-phenylhex-5-enyl]-methylazanium Traditional Name: benzyl-[(2S,3S)-3-hydroxy-2-phenyl-3-p-phenetyl-hex-5-enyl]-methyl-ammonium Formula: C28H34NO2+ MolecularWeight: 416.57506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CC=C)(C(C[NH+](C)CC2=CC=CC=C2)C3=CC=CC=C3)O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@](CC=C)([C@H](C[NH+](C)CC2=CC=CC=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C28H33NO2/c1-4-20-28(30,25-16-18-26(19-17-25)31-5-2)27(24-14-10-7-11-15-24)22-29(3)21-23-12-8-6-9-13-23/h4,6-19,27,30H,1,5,20-22H2,2-3H3/p+1/t27-,28-/m1/s1