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

Systemtic Name: 2-(6-butanoyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethyl-dimethyl-azanium Openeye Name: 2-(6-butanoyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl-dimethyl-ammonium CAS Name: 2-[2,2-dimethyl-3-oxo-6-(1-oxobutyl)-1,4-benzoxazin-4-yl]ethyl-dimethylammonium IUPAC Name: 2-(6-butanoyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)ethyl-dimethylazanium Traditional Name: 2-(6-butyryl-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl)ethyl-dimethyl-ammonium Formula: C18H27N2O3+ MolecularWeight: 319.41858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3/c1-6-7-15(21)13-8-9-16-14(12-13)20(11-10-19(4)5)17(22)18(2,3)23-16/h8-9,12H,6-7,10-11H2,1-5H3/p+1