5-[4-(dimethylamino)butanoyl]-2,2,4-trimethyl-4H-1,2-benzoxazin-2-ium-3-one

Systemtic Name: 5-[4-(dimethylamino)butanoyl]-2,2,4-trimethyl-4H-1,2-benzoxazin-2-ium-3-one Openeye Name: 5-[4-(dimethylamino)butanoyl]-2,2,4-trimethyl-4H-1,2-benzoxazin-2-ium-3-one CAS Name: 5-[4-(dimethylamino)-1-oxobutyl]-2,2,4-trimethyl-4H-1,2-benzoxazin-2-ium-3-one IUPAC Name: 5-[4-(dimethylamino)butanoyl]-2,2,4-trimethyl-4H-1,2-benzoxazin-2-ium-3-one Traditional Name: 5-[4-(dimethylamino)butanoyl]-2,2,4-trimethyl-4H-1,2-benzoxazin-2-ium-3-one Formula: C17H25N2O3+ MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=CC=C2O[N+](C1=O)(C)C)C(=O)CCCN(C)C

Isomeric SMILES

CC1C2=C(C=CC=C2O[N+](C1=O)(C)C)C(=O)CCCN(C)C

InChI

InChI=1S/C17H25N2O3/c1-12-16-13(14(20)9-7-11-18(2)3)8-6-10-15(16)22-19(4,5)17(12)21/h6,8,10,12H,7,9,11H2,1-5H3/q+1