[(2S,3S)-3-(4-ethoxyphenyl)-3-oxidanyl-2,5-diphenyl-pentyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(2S,3S)-3-(4-ethoxyphenyl)-3-oxidanyl-2,5-diphenyl-pentyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S,3S)-3-(4-ethoxyphenyl)-3-hydroxy-2,5-diphenyl-pentyl]-methyl-ammonium CAS Name: [(2S,3S)-3-(4-ethoxyphenyl)-3-hydroxy-2,5-diphenylpentyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S,3S)-3-(4-ethoxyphenyl)-3-hydroxy-2,5-diphenylpentyl]-methylazanium Traditional Name: benzyl-[(2S,3S)-3-hydroxy-2,5-diphenyl-3-p-phenetyl-pentyl]-methyl-ammonium Formula: C33H38NO2+ MolecularWeight: 480.66032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CCC2=CC=CC=C2)(C(C[NH+](C)CC3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@](CCC2=CC=CC=C2)([C@H](C[NH+](C)CC3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C33H37NO2/c1-3-36-31-21-19-30(20-22-31)33(35,24-23-27-13-7-4-8-14-27)32(29-17-11-6-12-18-29)26-34(2)25-28-15-9-5-10-16-28/h4-22,32,35H,3,23-26H2,1-2H3/p+1/t32-,33-/m1/s1