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

Systemtic Name: dimethyl-[2-[(2R)-2-methyl-3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl]ethyl]azanium Openeye Name: dimethyl-[2-[(2R)-2-methyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl]ethyl]ammonium CAS Name: dimethyl-[2-[(2R)-2-methyl-3-oxo-6-(1-oxopropyl)-1,4-benzoxazin-4-yl]ethyl]ammonium IUPAC Name: dimethyl-[2-[(2R)-2-methyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl]ethyl]azanium Traditional Name: 2-[(2R)-3-keto-2-methyl-6-propionyl-1,4-benzoxazin-4-yl]ethyl-dimethyl-ammonium Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-5-14(19)12-6-7-15-13(10-12)18(9-8-17(3)4)16(20)11(2)21-15/h6-7,10-11H,5,8-9H2,1-4H3/p+1/t11-/m1/s1