N1-(pyridin-1-ium-2-ylmethyl)-N4-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide

Systemtic Name: N1-(pyridin-1-ium-2-ylmethyl)-N4-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide Openeye Name: N1-(pyridin-1-ium-2-ylmethyl)-N4-(2-pyridylmethyl)terephthalamide CAS Name: N1-(2-pyridin-1-iumylmethyl)-N4-(2-pyridinylmethyl)benzene-1,4-dicarboxamide IUPAC Name: 1-N-(pyridin-1-ium-2-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide Traditional Name: N-(pyridin-1-ium-2-ylmethyl)-N'-(2-pyridylmethyl)terephthalamide Formula: C20H19N4O2+ MolecularWeight: 347.39046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)CNC(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3

Isomeric SMILES

C1=CC=[NH+]C(=C1)CNC(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C20H18N4O2/c25-19(23-13-17-5-1-3-11-21-17)15-7-9-16(10-8-15)20(26)24-14-18-6-2-4-12-22-18/h1-12H,13-14H2,(H,23,25)(H,24,26)/p+1