1-oxidanidyl-N-[4-(2-phenylazanylpyridin-4-yl)pyridin-2-yl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-oxidanidyl-N-[4-(2-phenylazanylpyridin-4-yl)pyridin-2-yl]pyridin-1-ium-3-carboxamide Openeye Name: N-[4-(2-anilino-4-pyridyl)-2-pyridyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[4-(2-anilinopyridin-4-yl)pyridin-2-yl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[4-(2-anilino-4-pyridyl)-2-pyridyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C22H17N5O2 MolecularWeight: 383.40268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC=CC(=C2)C3=CC(=NC=C3)NC(=O)C4=C[N+](=CC=C4)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC=CC(=C2)C3=CC(=NC=C3)NC(=O)C4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C22H17N5O2/c28-22(18-5-4-12-27(29)15-18)26-21-14-17(9-11-24-21)16-8-10-23-20(13-16)25-19-6-2-1-3-7-19/h1-15H,(H,23,25)(H,24,26,28)