N-[3-oxidanyl-4-(2-pyridin-1-ium-1-ylethanoylamino)phenyl]-2-pyridin-1-ium-1-yl-ethanamide

Systemtic Name: N-[3-oxidanyl-4-(2-pyridin-1-ium-1-ylethanoylamino)phenyl]-2-pyridin-1-ium-1-yl-ethanamide Openeye Name: N-[3-hydroxy-4-[(2-pyridin-1-ium-1-ylacetyl)amino]phenyl]-2-pyridin-1-ium-1-yl-acetamide CAS Name: N-[3-hydroxy-4-[[1-oxo-2-(1-pyridin-1-iumyl)ethyl]amino]phenyl]-2-(1-pyridin-1-iumyl)acetamide IUPAC Name: N-[3-hydroxy-4-[(2-pyridin-1-ium-1-ylacetyl)amino]phenyl]-2-pyridin-1-ium-1-ylacetamide Traditional Name: N-[3-hydroxy-4-[(2-pyridin-1-ium-1-ylacetyl)amino]phenyl]-2-pyridin-1-ium-1-yl-acetamide Formula: C20H20N4O3+2 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC(=O)NC2=CC(=C(C=C2)NC(=O)C[N+]3=CC=CC=C3)O

Isomeric SMILES

C1=CC=[N+](C=C1)CC(=O)NC2=CC(=C(C=C2)NC(=O)C[N+]3=CC=CC=C3)O

InChI

InChI=1S/C20H18N4O3/c25-18-13-16(21-19(26)14-23-9-3-1-4-10-23)7-8-17(18)22-20(27)15-24-11-5-2-6-12-24/h1-13H,14-15H2,(H-2,21,22,25,26,27)/p+2