7-butanoyl-2,2,4-trimethyl-4H-1,2-benzoxazin-2-ium-3-one

Systemtic Name: 7-butanoyl-2,2,4-trimethyl-4H-1,2-benzoxazin-2-ium-3-one Openeye Name: 7-butanoyl-2,2,4-trimethyl-4H-1,2-benzoxazin-2-ium-3-one CAS Name: 2,2,4-trimethyl-7-(1-oxobutyl)-4H-1,2-benzoxazin-2-ium-3-one IUPAC Name: 7-butanoyl-2,2,4-trimethyl-4H-1,2-benzoxazin-2-ium-3-one Traditional Name: 7-butyryl-2,2,4-trimethyl-4H-1,2-benzoxazin-2-ium-3-one Formula: C15H20NO3+ MolecularWeight: 262.3242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)C(C(=O)[N+](O2)(C)C)C

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)C(C(=O)[N+](O2)(C)C)C

InChI

InChI=1S/C15H20NO3/c1-5-6-13(17)11-7-8-12-10(2)15(18)16(3,4)19-14(12)9-11/h7-10H,5-6H2,1-4H3/q+1