1-(2-oxidanyl-3-phenoxy-propyl)pyridin-1-ium-3-carboxamide

Systemtic Name: 1-(2-oxidanyl-3-phenoxy-propyl)pyridin-1-ium-3-carboxamide Openeye Name: 1-(2-hydroxy-3-phenoxy-propyl)pyridin-1-ium-3-carboxamide CAS Name: 1-(2-hydroxy-3-phenoxypropyl)-3-pyridin-1-iumcarboxamide IUPAC Name: 1-(2-hydroxy-3-phenoxypropyl)pyridin-1-ium-3-carboxamide Traditional Name: 1-(2-hydroxy-3-phenoxy-propyl)pyridin-1-ium-3-carboxamide Formula: C15H17N2O3+ MolecularWeight: 273.30708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(C[N+]2=CC=CC(=C2)C(=O)N)O

Isomeric SMILES

C1=CC=C(C=C1)OCC(C[N+]2=CC=CC(=C2)C(=O)N)O

InChI

InChI=1S/C15H16N2O3/c16-15(19)12-5-4-8-17(9-12)10-13(18)11-20-14-6-2-1-3-7-14/h1-9,13,18H,10-11H2,(H-,16,19)/p+1