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

Systemtic Name: 2-[(2R)-6-butanoyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2R)-6-butanoyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[(2R)-2-methyl-3-oxo-6-(1-oxobutyl)-1,4-benzoxazin-4-yl]ethyl]ammonium IUPAC Name: 2-[(2R)-6-butanoyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]ethyl-dimethylazanium Traditional Name: 2-[(2R)-6-butyryl-3-keto-2-methyl-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium Formula: C17H25N2O3+ MolecularWeight: 305.392

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O3/c1-5-6-15(20)13-7-8-16-14(11-13)19(10-9-18(3)4)17(21)12(2)22-16/h7-8,11-12H,5-6,9-10H2,1-4H3/p+1/t12-/m1/s1