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

Systemtic Name: [(2S,3S)-3-(4-ethoxyphenyl)-4-methyl-3-oxidanyl-2-phenyl-pentyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S,3S)-3-(4-ethoxyphenyl)-3-hydroxy-4-methyl-2-phenyl-pentyl]-methyl-ammonium CAS Name: [(2S,3S)-3-(4-ethoxyphenyl)-3-hydroxy-4-methyl-2-phenylpentyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S,3S)-3-(4-ethoxyphenyl)-3-hydroxy-4-methyl-2-phenylpentyl]-methylazanium Traditional Name: benzyl-[(2S,3S)-3-hydroxy-4-methyl-2-phenyl-3-p-phenetyl-pentyl]-methyl-ammonium Formula: C28H36NO2+ MolecularWeight: 418.59094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35NO2/c1-5-31-26-18-16-25(17-19-26)28(30,22(2)3)27(24-14-10-7-11-15-24)21-29(4)20-23-12-8-6-9-13-23/h6-19,22,27,30H,5,20-21H2,1-4H3/p+1/t27-,28-/m1/s1