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

Systemtic Name: 2-(6-butanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethyl-dimethyl-azanium Openeye Name: 2-(6-butanoyl-3-oxo-1,4-benzoxazin-4-yl)ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[3-oxo-6-(1-oxobutyl)-1,4-benzoxazin-4-yl]ethyl]ammonium IUPAC Name: 2-(6-butanoyl-3-oxo-1,4-benzoxazin-4-yl)ethyl-dimethylazanium Traditional Name: 2-(6-butyryl-3-keto-1,4-benzoxazin-4-yl)ethyl-dimethyl-ammonium Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-4-5-14(19)12-6-7-15-13(10-12)18(9-8-17(2)3)16(20)11-21-15/h6-7,10H,4-5,8-9,11H2,1-3H3/p+1