2-[2-(cyclohexyl-oxidanyl-phenyl-methyl)-1,3-oxazol-5-yl]ethyl-dimethyl-(3-phenylsulfanylpropyl)azanium

Systemtic Name: 2-[2-(cyclohexyl-oxidanyl-phenyl-methyl)-1,3-oxazol-5-yl]ethyl-dimethyl-(3-phenylsulfanylpropyl)azanium Openeye Name: 2-[2-(cyclohexyl-hydroxy-phenyl-methyl)oxazol-5-yl]ethyl-dimethyl-(3-phenylsulfanylpropyl)ammonium CAS Name: 2-[2-(cyclohexyl-hydroxy-phenylmethyl)-5-oxazolyl]ethyl-dimethyl-[3-(phenylthio)propyl]ammonium IUPAC Name: 2-[2-(cyclohexyl-hydroxy-phenylmethyl)-1,3-oxazol-5-yl]ethyl-dimethyl-(3-phenylsulfanylpropyl)azanium Traditional Name: 2-[2-(cyclohexyl-hydroxy-phenyl-methyl)oxazol-5-yl]ethyl-dimethyl-[3-(phenylthio)propyl]ammonium Formula: C29H39N2O2S+ MolecularWeight: 479.69716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCSC1=CC=CC=C1)CCC2=CN=C(O2)C(C3CCCCC3)(C4=CC=CC=C4)O

Isomeric SMILES

C[N+](C)(CCCSC1=CC=CC=C1)CCC2=CN=C(O2)C(C3CCCCC3)(C4=CC=CC=C4)O

InChI

InChI=1S/C29H39N2O2S/c1-31(2,20-12-22-34-27-17-10-5-11-18-27)21-19-26-23-30-28(33-26)29(32,24-13-6-3-7-14-24)25-15-8-4-9-16-25/h3,5-7,10-11,13-14,17-18,23,25,32H,4,8-9,12,15-16,19-22H2,1-2H3/q+1