6-[2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-(5-ethyl-2-methyl-1-pyridin-1-iumyl)-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(5-ethyl-2-methyl-pyridin-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:

CCC1=C[N+](=C(C=C1)C)CC(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CCC1=C[N+](=C(C=C1)C)CC(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

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