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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]C(C)C1=CC2=C(C=C1)OCC(=O)N2

Isomeric SMILES

CC[C@H](C)[NH2+][C@H](C)C1=CC2=C(C=C1)OCC(=O)N2

InChI

InChI=1S/C14H20N2O2/c1-4-9(2)15-10(3)11-5-6-13-12(7-11)16-14(17)8-18-13/h5-7,9-10,15H,4,8H2,1-3H3,(H,16,17)/p+1/t9-,10+/m0/s1