2,2,4-trimethyl-7-(4-oxidanylbutanoyl)-4H-1,2-benzoxazin-2-ium-3-one

Systemtic Name: 2,2,4-trimethyl-7-(4-oxidanylbutanoyl)-4H-1,2-benzoxazin-2-ium-3-one Openeye Name: 7-(4-hydroxybutanoyl)-2,2,4-trimethyl-4H-1,2-benzoxazin-2-ium-3-one CAS Name: 7-(4-hydroxy-1-oxobutyl)-2,2,4-trimethyl-4H-1,2-benzoxazin-2-ium-3-one IUPAC Name: 7-(4-hydroxybutanoyl)-2,2,4-trimethyl-4H-1,2-benzoxazin-2-ium-3-one Traditional Name: 7-(4-hydroxybutanoyl)-2,2,4-trimethyl-4H-1,2-benzoxazin-2-ium-3-one Formula: C15H20NO4+ MolecularWeight: 278.3236

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=C(C=C2)C(=O)CCCO)O[N+](C1=O)(C)C

Isomeric SMILES

CC1C2=C(C=C(C=C2)C(=O)CCCO)O[N+](C1=O)(C)C

InChI

InChI=1S/C15H20NO4/c1-10-12-7-6-11(13(18)5-4-8-17)9-14(12)20-16(2,3)15(10)19/h6-7,9-10,17H,4-5,8H2,1-3H3/q+1