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

Systemtic Name: [(2S,3S)-3-(4-ethoxyphenyl)-3-oxidanyl-2-phenyl-pentyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S,3S)-3-(4-ethoxyphenyl)-3-hydroxy-2-phenyl-pentyl]-methyl-ammonium CAS Name: [(2S,3S)-3-(4-ethoxyphenyl)-3-hydroxy-2-phenylpentyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S,3S)-3-(4-ethoxyphenyl)-3-hydroxy-2-phenylpentyl]-methylazanium Traditional Name: benzyl-[(2S,3S)-3-hydroxy-2-phenyl-3-p-phenetyl-pentyl]-methyl-ammonium Formula: C27H34NO2+ MolecularWeight: 404.56436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33NO2/c1-4-27(29,24-16-18-25(19-17-24)30-5-2)26(23-14-10-7-11-15-23)21-28(3)20-22-12-8-6-9-13-22/h6-19,26,29H,4-5,20-21H2,1-3H3/p+1/t26-,27-/m1/s1