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

Systemtic Name: [(1S)-1-[(2R)-2,4-dimethyl-3-oxidanylidene-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1S)-1-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-[(2R)-3-keto-2,4-dimethyl-1,4-benzoxazin-6-yl]propyl]ammonium Formula: C13H19N2O2+ MolecularWeight: 235.30216

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)OC(C(=O)N2C)C)[NH3+]

Isomeric SMILES

CC[C@@H](C1=CC2=C(C=C1)O[C@@H](C(=O)N2C)C)[NH3+]

InChI

InChI=1S/C13H18N2O2/c1-4-10(14)9-5-6-12-11(7-9)15(3)13(16)8(2)17-12/h5-8,10H,4,14H2,1-3H3/p+1/t8-,10+/m1/s1