6-[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)ethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)acetyl]-4H-1,4-benzoxazin-3-one Formula: C16H20N3O3+ MolecularWeight: 302.3483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCN1CC2)CC(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

C1C[N+]2(CCN1CC2)CC(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C16H19N3O3/c20-14(10-19-6-3-18(4-7-19)5-8-19)12-1-2-15-13(9-12)17-16(21)11-22-15/h1-2,9H,3-8,10-11H2/p+1