N-(pyridin-1-ium-3-ylmethyl)-9H-xanthene-9-carboxamide

Systemtic Name: N-(pyridin-1-ium-3-ylmethyl)-9H-xanthene-9-carboxamide Openeye Name: N-(pyridin-1-ium-3-ylmethyl)-9H-xanthene-9-carboxamide CAS Name: N-(3-pyridin-1-iumylmethyl)-9H-xanthene-9-carboxamide IUPAC Name: N-(pyridin-1-ium-3-ylmethyl)-9H-xanthene-9-carboxamide Traditional Name: N-(pyridin-1-ium-3-ylmethyl)-9H-xanthene-9-carboxamide Formula: C20H17N2O2+ MolecularWeight: 317.36118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NCC4=C[NH+]=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)NCC4=C[NH+]=CC=C4

InChI

InChI=1S/C20H16N2O2/c23-20(22-13-14-6-5-11-21-12-14)19-15-7-1-3-9-17(15)24-18-10-4-2-8-16(18)19/h1-12,19H,13H2,(H,22,23)/p+1