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

Systemtic Name: 3-(6-butanoyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propyl-dimethyl-azanium Openeye Name: 3-(6-butanoyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propyl-dimethyl-ammonium CAS Name: 3-[2,2-dimethyl-3-oxo-6-(1-oxobutyl)-1,4-benzoxazin-4-yl]propyl-dimethylammonium IUPAC Name: 3-(6-butanoyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propyl-dimethylazanium Traditional Name: 3-(6-butyryl-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl)propyl-dimethyl-ammonium Formula: C19H29N2O3+ MolecularWeight: 333.44516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O3/c1-6-8-16(22)14-9-10-17-15(13-14)21(12-7-11-20(4)5)18(23)19(2,3)24-17/h9-10,13H,6-8,11-12H2,1-5H3/p+1