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

Systemtic Name: [(2S,3S)-3-(4-ethoxyphenyl)-3-oxidanyl-2-phenyl-hexyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S,3S)-3-(4-ethoxyphenyl)-3-hydroxy-2-phenyl-hexyl]-methyl-ammonium CAS Name: [(2S,3S)-3-(4-ethoxyphenyl)-3-hydroxy-2-phenylhexyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S,3S)-3-(4-ethoxyphenyl)-3-hydroxy-2-phenylhexyl]-methylazanium Traditional Name: benzyl-[(2S,3S)-3-hydroxy-2-phenyl-3-p-phenetyl-hexyl]-methyl-ammonium Formula: C28H36NO2+ MolecularWeight: 418.59094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35NO2/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/h6-19,27,30H,4-5,20-22H2,1-3H3/p+1/t27-,28-/m1/s1