N1-(pyridin-1-ium-2-ylmethyl)-N3-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide

Systemtic Name: N1-(pyridin-1-ium-2-ylmethyl)-N3-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide Openeye Name: N1-(pyridin-1-ium-2-ylmethyl)-N3-(2-pyridylmethyl)benzene-1,3-dicarboxamide CAS Name: N1-(2-pyridin-1-iumylmethyl)-N3-(2-pyridinylmethyl)benzene-1,3-dicarboxamide IUPAC Name: 1-N-(pyridin-1-ium-2-ylmethyl)-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide Traditional Name: N-(pyridin-1-ium-2-ylmethyl)-N'-(2-pyridylmethyl)isophthalamide Formula: C20H19N4O2+ MolecularWeight: 347.39046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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