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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(C)[NH3+])C(C)C

Isomeric SMILES

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

InChI

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