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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)OC(C(=O)N2CC)C)[NH3+]

Isomeric SMILES

CC[C@@H](C1=CC2=C(C=C1)O[C@@H](C(=O)N2CC)C)[NH3+]

InChI

InChI=1S/C14H20N2O2/c1-4-11(15)10-6-7-13-12(8-10)16(5-2)14(17)9(3)18-13/h6-9,11H,4-5,15H2,1-3H3/p+1/t9-,11+/m1/s1