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

Systemtic Name: [(2S,3S)-3-(4-ethoxyphenyl)-3-oxidanyl-2-phenyl-octyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S,3S)-3-(4-ethoxyphenyl)-3-hydroxy-2-phenyl-octyl]-methyl-ammonium CAS Name: [(2S,3S)-3-(4-ethoxyphenyl)-3-hydroxy-2-phenyloctyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S,3S)-3-(4-ethoxyphenyl)-3-hydroxy-2-phenyloctyl]-methylazanium Traditional Name: benzyl-[(2S,3S)-3-hydroxy-2-phenyl-3-p-phenetyl-octyl]-methyl-ammonium Formula: C30H40NO2+ MolecularWeight: 446.6441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H39NO2/c1-4-6-13-22-30(32,27-18-20-28(21-19-27)33-5-2)29(26-16-11-8-12-17-26)24-31(3)23-25-14-9-7-10-15-25/h7-12,14-21,29,32H,4-6,13,22-24H2,1-3H3/p+1/t29-,30-/m1/s1