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

Systemtic Name: [(1S)-1-[(2R)-2-ethyl-4-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-[(2R)-2-ethyl-4-methyl-3-oxo-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1S)-1-[(2R)-2-ethyl-4-methyl-3-oxo-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[(2R)-2-ethyl-4-methyl-3-oxo-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-[(2R)-2-ethyl-3-keto-4-methyl-1,4-benzoxazin-6-yl]propyl]ammonium Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C(CC)[NH3+])C

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)[C@H](CC)[NH3+])C

InChI

InChI=1S/C14H20N2O2/c1-4-10(15)9-6-7-13-11(8-9)16(3)14(17)12(5-2)18-13/h6-8,10,12H,4-5,15H2,1-3H3/p+1/t10-,12+/m0/s1