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

Systemtic Name: (2-carboxy-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)oxymethylidene-(phenylmethylidene)azanium Openeye Name: benzylidene-[(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)oxymethylene]ammonium CAS Name: (2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)oxymethylidene-(phenylmethylene)ammonium IUPAC Name: benzylidene-[(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)oxymethylidene]azanium Traditional Name: benzal-[(2-carboxy-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)oxymethylene]ammonium Formula: C16H17N2O4S+ MolecularWeight: 333.38218

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)OC=[N+]=CC3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)OC=[N+]=CC3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C16H16N2O4S/c1-16(2)12(15(20)21)18-13(19)11(14(18)23-16)22-9-17-8-10-6-4-3-5-7-10/h3-9,11-12,14H,1-2H3/p+1