diphenylphosphoryl 1-azanyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azoniabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: diphenylphosphoryl 1-azanyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azoniabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: diphenylphosphoryl 1-amino-3,3-dimethyl-7-oxo-4-thia-1-azoniabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 1-amino-3,3-dimethyl-7-oxo-4-thia-1-azoniabicyclo[3.2.0]heptane-2-carboxylic acid diphenylphosphoryl ester IUPAC Name: diphenylphosphoryl 1-amino-3,3-dimethyl-7-oxo-4-thia-1-azoniabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 1-amino-7-keto-3,3-dimethyl-4-thia-1-azoniabicyclo[3.2.0]heptane-2-carboxylic acid diphenylphosphoryl ester Formula: C20H22N2O4PS+ MolecularWeight: 417.438441

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C([N+]2(C(S1)CC2=O)N)C(=O)OP(=O)(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1(C([N+]2(C(S1)CC2=O)N)C(=O)OP(=O)(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C20H22N2O4PS/c1-20(2)18(22(21)16(23)13-17(22)28-20)19(24)26-27(25,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17-18H,13,21H2,1-2H3/q+1