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

Systemtic Name: [(2S,3R)-3-(4-ethoxyphenyl)-3-oxidanyl-2-phenyl-butyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S,3R)-3-(4-ethoxyphenyl)-3-hydroxy-2-phenyl-butyl]-methyl-ammonium CAS Name: [(2S,3R)-3-(4-ethoxyphenyl)-3-hydroxy-2-phenylbutyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S,3R)-3-(4-ethoxyphenyl)-3-hydroxy-2-phenylbutyl]-methylazanium Traditional Name: benzyl-[(2S,3R)-3-hydroxy-2-phenyl-3-p-phenetyl-butyl]-methyl-ammonium Formula: C26H32NO2+ MolecularWeight: 390.53778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO2/c1-4-29-24-17-15-23(16-18-24)26(2,28)25(22-13-9-6-10-14-22)20-27(3)19-21-11-7-5-8-12-21/h5-18,25,28H,4,19-20H2,1-3H3/p+1/t25-,26+/m1/s1