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

Systemtic Name: [(2S,3S)-3-(4-ethoxyphenyl)-5-methyl-3-oxidanyl-2-phenyl-hexyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S,3S)-3-(4-ethoxyphenyl)-3-hydroxy-5-methyl-2-phenyl-hexyl]-methyl-ammonium CAS Name: [(2S,3S)-3-(4-ethoxyphenyl)-3-hydroxy-5-methyl-2-phenylhexyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S,3S)-3-(4-ethoxyphenyl)-3-hydroxy-5-methyl-2-phenylhexyl]-methylazanium Traditional Name: benzyl-[(2S,3S)-3-hydroxy-5-methyl-2-phenyl-3-p-phenetyl-hexyl]-methyl-ammonium Formula: C29H38NO2+ MolecularWeight: 432.61752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H37NO2/c1-5-32-27-18-16-26(17-19-27)29(31,20-23(2)3)28(25-14-10-7-11-15-25)22-30(4)21-24-12-8-6-9-13-24/h6-19,23,28,31H,5,20-22H2,1-4H3/p+1/t28-,29-/m1/s1