[(2S,3S)-3-(4-butoxyphenyl)-3-oxidanyl-2,4-diphenyl-butyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(2S,3S)-3-(4-butoxyphenyl)-3-oxidanyl-2,4-diphenyl-butyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S,3S)-3-(4-butoxyphenyl)-3-hydroxy-2,4-diphenyl-butyl]-methyl-ammonium CAS Name: [(2S,3S)-3-(4-butoxyphenyl)-3-hydroxy-2,4-diphenylbutyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S,3S)-3-(4-butoxyphenyl)-3-hydroxy-2,4-diphenylbutyl]-methylazanium Traditional Name: benzyl-[(2S,3S)-3-(4-butoxyphenyl)-3-hydroxy-2,4-diphenyl-butyl]-methyl-ammonium Formula: C34H40NO2+ MolecularWeight: 494.6869

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(CC2=CC=CC=C2)(C(C[NH+](C)CC3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@](CC2=CC=CC=C2)([C@H](C[NH+](C)CC3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C34H39NO2/c1-3-4-24-37-32-22-20-31(21-23-32)34(36,25-28-14-8-5-9-15-28)33(30-18-12-7-13-19-30)27-35(2)26-29-16-10-6-11-17-29/h5-23,33,36H,3-4,24-27H2,1-2H3/p+1/t33-,34-/m1/s1