cyclohexyl-[5-[2-[dimethyl(3-phenylsulfanylpropyl)azaniumyl]ethyl]-1,3-oxazol-2-yl]-phenyl-methanolate

Systemtic Name: cyclohexyl-[5-[2-[dimethyl(3-phenylsulfanylpropyl)azaniumyl]ethyl]-1,3-oxazol-2-yl]-phenyl-methanolate Openeye Name: cyclohexyl-[5-[2-[dimethyl(3-phenylsulfanylpropyl)ammonio]ethyl]oxazol-2-yl]-phenyl-methanolate CAS Name: cyclohexyl-[5-[2-[dimethyl-[3-(phenylthio)propyl]ammonio]ethyl]-2-oxazolyl]-phenylmethanolate IUPAC Name: cyclohexyl-[5-[2-[dimethyl(3-phenylsulfanylpropyl)azaniumyl]ethyl]-1,3-oxazol-2-yl]-phenylmethanolate Traditional Name: cyclohexyl-[5-[2-[dimethyl-[3-(phenylthio)propyl]ammonio]ethyl]oxazol-2-yl]-phenyl-methanolate Formula: C29H38N2O2S MolecularWeight: 478.68922

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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/C29H38N2O2S/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/h3,5-7,10-11,13-14,17-18,23,25H,4,8-9,12,15-16,19-22H2,1-2H3