2-(2,2-dimethyl-3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl)ethyl-dimethyl-azanium

Systemtic Name: 2-(2,2-dimethyl-3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl)ethyl-dimethyl-azanium Openeye Name: 2-(2,2-dimethyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)ethyl-dimethyl-ammonium CAS Name: 2-[2,2-dimethyl-3-oxo-6-(1-oxopropyl)-1,4-benzoxazin-4-yl]ethyl-dimethylammonium IUPAC Name: 2-(2,2-dimethyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)ethyl-dimethylazanium Traditional Name: 2-(3-keto-2,2-dimethyl-6-propionyl-1,4-benzoxazin-4-yl)ethyl-dimethyl-ammonium Formula: C17H25N2O3+ MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2CC[NH+](C)C)(C)C

Isomeric SMILES

CCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2CC[NH+](C)C)(C)C

InChI

InChI=1S/C17H24N2O3/c1-6-14(20)12-7-8-15-13(11-12)19(10-9-18(4)5)16(21)17(2,3)22-15/h7-8,11H,6,9-10H2,1-5H3/p+1