N-[3-(hydroxymethyl)phenyl]methanamide; 2-oxidanylideneazetidine-1-sulfonate; pyridin-1-ium

Systemtic Name: N-[3-(hydroxymethyl)phenyl]methanamide; 2-oxidanylideneazetidine-1-sulfonate; pyridin-1-ium Openeye Name: N-[3-(hydroxymethyl)phenyl]formamide; 2-oxoazetidine-1-sulfonate; pyridin-1-ium CAS Name: N-[3-(hydroxymethyl)phenyl]formamide; 2-oxo-1-azetidinesulfonate; pyridin-1-ium IUPAC Name: N-[3-(hydroxymethyl)phenyl]formamide; 2-oxoazetidine-1-sulfonate; pyridin-1-ium Traditional Name: 2-ketoazetidine-1-sulfonate; N-(3-methylolphenyl)formamide; pyridin-1-ium Formula: C16H19N3O6S MolecularWeight: 381.40356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1=O)S(=O)(=O)[O-].C1=CC=[NH+]C=C1.C1=CC(=CC(=C1)NC=O)CO

Isomeric SMILES

C1CN(C1=O)S(=O)(=O)[O-].C1=CC=[NH+]C=C1.C1=CC(=CC(=C1)NC=O)CO

InChI

InChI=1S/C8H9NO2.C5H5N.C3H5NO4S/c10-5-7-2-1-3-8(4-7)9-6-11;1-2-4-6-5-3-1;5-3-1-2-4(3)9(6,7)8/h1-4,6,10H,5H2,(H,9,11);1-5H;1-2H2,(H,6,7,8)