6-[2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-(4-pentan-3-yl-1-pyridin-1-iumyl)ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]acetyl]-4H-1,4-benzoxazin-3-one Formula: C20H23N2O3+ MolecularWeight: 339.40822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=[N+](C=C1)CC(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CCC(CC)C1=CC=[N+](C=C1)CC(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C20H22N2O3/c1-3-14(4-2)15-7-9-22(10-8-15)12-18(23)16-5-6-19-17(11-16)21-20(24)13-25-19/h5-11,14H,3-4,12-13H2,1-2H3/p+1