2-oxidanylidene-3-(2-phenoxyethanoylamino)azetidine-1-sulfonate; pyridin-1-ium

Systemtic Name: 2-oxidanylidene-3-(2-phenoxyethanoylamino)azetidine-1-sulfonate; pyridin-1-ium Openeye Name: 2-oxo-3-[(2-phenoxyacetyl)amino]azetidine-1-sulfonate; pyridin-1-ium CAS Name: 2-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidinesulfonate; pyridin-1-ium IUPAC Name: 2-oxo-3-[(2-phenoxyacetyl)amino]azetidine-1-sulfonate; pyridin-1-ium Traditional Name: 2-keto-3-[(2-phenoxyacetyl)amino]azetidine-1-sulfonate; pyridin-1-ium Formula: C16H17N3O6S MolecularWeight: 379.38768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)COC2=CC=CC=C2.C1=CC=[NH+]C=C1

Isomeric SMILES

C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)COC2=CC=CC=C2.C1=CC=[NH+]C=C1

InChI

InChI=1S/C11H12N2O6S.C5H5N/c14-10(7-19-8-4-2-1-3-5-8)12-9-6-13(11(9)15)20(16,17)18;1-2-4-6-5-3-1/h1-5,9H,6-7H2,(H,12,14)(H,16,17,18);1-5H