N-[2-(3,4-dihydro-2H-chromen-6-yl)-2-oxidanylidene-ethyl]pyridin-1-ium-4-carboxamide

Systemtic Name: N-[2-(3,4-dihydro-2H-chromen-6-yl)-2-oxidanylidene-ethyl]pyridin-1-ium-4-carboxamide Openeye Name: N-(2-chroman-6-yl-2-oxo-ethyl)pyridin-1-ium-4-carboxamide CAS Name: N-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-2-oxoethyl]-4-pyridin-1-iumcarboxamide IUPAC Name: N-[2-(3,4-dihydro-2H-chromen-6-yl)-2-oxoethyl]pyridin-1-ium-4-carboxamide Traditional Name: N-(2-chroman-6-yl-2-keto-ethyl)pyridin-1-ium-4-carboxamide Formula: C17H17N2O3+ MolecularWeight: 297.32848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C(=O)CNC(=O)C3=CC=[NH+]C=C3)OC1

Isomeric SMILES

C1CC2=C(C=CC(=C2)C(=O)CNC(=O)C3=CC=[NH+]C=C3)OC1

InChI

InChI=1S/C17H16N2O3/c20-15(11-19-17(21)12-5-7-18-8-6-12)13-3-4-16-14(10-13)2-1-9-22-16/h3-8,10H,1-2,9,11H2,(H,19,21)/p+1