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

Systemtic Name: 3-(6-butanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propyl-dimethyl-azanium Openeye Name: 3-(6-butanoyl-3-oxo-1,4-benzoxazin-4-yl)propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[3-oxo-6-(1-oxobutyl)-1,4-benzoxazin-4-yl]propyl]ammonium IUPAC Name: 3-(6-butanoyl-3-oxo-1,4-benzoxazin-4-yl)propyl-dimethylazanium Traditional Name: 3-(6-butyryl-3-keto-1,4-benzoxazin-4-yl)propyl-dimethyl-ammonium Formula: C17H25N2O3+ MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)OCC(=O)N2CCC[NH+](C)C

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)OCC(=O)N2CCC[NH+](C)C

InChI

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