4-[2-(4-pyridin-2-ylpyridin-1-ium-1-yl)ethyl]-1,4-benzoxazepin-5-one

Systemtic Name: 4-[2-(4-pyridin-2-ylpyridin-1-ium-1-yl)ethyl]-1,4-benzoxazepin-5-one Openeye Name: 4-[2-[4-(2-pyridyl)pyridin-1-ium-1-yl]ethyl]-1,4-benzoxazepin-5-one CAS Name: 4-[2-[4-(2-pyridinyl)-1-pyridin-1-iumyl]ethyl]-1,4-benzoxazepin-5-one IUPAC Name: 4-[2-(4-pyridin-2-ylpyridin-1-ium-1-yl)ethyl]-1,4-benzoxazepin-5-one Traditional Name: 4-[2-[4-(2-pyridyl)pyridin-1-ium-1-yl]ethyl]-1,4-benzoxazepin-5-one Formula: C21H18N3O2+ MolecularWeight: 344.38652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=CO2)CC[N+]3=CC=C(C=C3)C4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=CO2)CC[N+]3=CC=C(C=C3)C4=CC=CC=N4

InChI

InChI=1S/C21H18N3O2/c25-21-18-5-1-2-7-20(18)26-16-15-24(21)14-13-23-11-8-17(9-12-23)19-6-3-4-10-22-19/h1-12,15-16H,13-14H2/q+1