(2-acetyloxy-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-triphenyl-azanium

Systemtic Name: (2-acetyloxy-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-triphenyl-azanium Openeye Name: (2-acetoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-triphenyl-ammonium CAS Name: (2-acetyloxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-triphenylammonium IUPAC Name: (2-acetyloxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-triphenylazanium Traditional Name: (2-acetoxy-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)-triphenyl-ammonium Formula: C27H27N2O3S+ MolecularWeight: 459.57988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(SC2N1C(=O)C2[N+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C)C

Isomeric SMILES

CC(=O)OC1C(SC2N1C(=O)C2[N+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C)C

InChI

InChI=1S/C27H27N2O3S/c1-19(30)32-26-27(2,3)33-25-23(24(31)28(25)26)29(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23,25-26H,1-3H3/q+1