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

Systemtic Name: 6-[2-(4-propylpyridin-1-ium-1-yl)ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(4-propylpyridin-1-ium-1-yl)acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-(4-propyl-1-pyridin-1-iumyl)ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(4-propylpyridin-1-ium-1-yl)acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(4-propylpyridin-1-ium-1-yl)acetyl]-4H-1,4-benzoxazin-3-one Formula: C18H19N2O3+ MolecularWeight: 311.35506

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C18H18N2O3/c1-2-3-13-6-8-20(9-7-13)11-16(21)14-4-5-17-15(10-14)19-18(22)12-23-17/h4-10H,2-3,11-12H2,1H3/p+1