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

Systemtic Name: [(2S,3S)-3-(4-butoxyphenyl)-3-cyclohexyl-3-oxidanyl-2-phenyl-propyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S,3S)-3-(4-butoxyphenyl)-3-cyclohexyl-3-hydroxy-2-phenyl-propyl]-methyl-ammonium CAS Name: [(2S,3S)-3-(4-butoxyphenyl)-3-cyclohexyl-3-hydroxy-2-phenylpropyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S,3S)-3-(4-butoxyphenyl)-3-cyclohexyl-3-hydroxy-2-phenylpropyl]-methylazanium Traditional Name: benzyl-[(2S,3S)-3-(4-butoxyphenyl)-3-cyclohexyl-3-hydroxy-2-phenyl-propyl]-methyl-ammonium Formula: C33H44NO2+ MolecularWeight: 486.70796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(C2CCCCC2)(C(C[NH+](C)CC3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@](C2CCCCC2)([C@H](C[NH+](C)CC3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C33H43NO2/c1-3-4-24-36-31-22-20-30(21-23-31)33(35,29-18-12-7-13-19-29)32(28-16-10-6-11-17-28)26-34(2)25-27-14-8-5-9-15-27/h5-6,8-11,14-17,20-23,29,32,35H,3-4,7,12-13,18-19,24-26H2,1-2H3/p+1/t32-,33-/m1/s1