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

Systemtic Name: [(2S,3S)-3-cyclohexyl-3-(4-ethoxyphenyl)-3-oxidanyl-2-phenyl-propyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S,3S)-3-cyclohexyl-3-(4-ethoxyphenyl)-3-hydroxy-2-phenyl-propyl]-methyl-ammonium CAS Name: [(2S,3S)-3-cyclohexyl-3-(4-ethoxyphenyl)-3-hydroxy-2-phenylpropyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S,3S)-3-cyclohexyl-3-(4-ethoxyphenyl)-3-hydroxy-2-phenylpropyl]-methylazanium Traditional Name: benzyl-[(2S,3S)-3-cyclohexyl-3-hydroxy-2-phenyl-3-p-phenetyl-propyl]-methyl-ammonium Formula: C31H40NO2+ MolecularWeight: 458.6548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2CCCCC2)(C(C[NH+](C)CC3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@](C2CCCCC2)([C@H](C[NH+](C)CC3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C31H39NO2/c1-3-34-29-21-19-28(20-22-29)31(33,27-17-11-6-12-18-27)30(26-15-9-5-10-16-26)24-32(2)23-25-13-7-4-8-14-25/h4-5,7-10,13-16,19-22,27,30,33H,3,6,11-12,17-18,23-24H2,1-2H3/p+1/t30-,31-/m1/s1