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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)COC2=C1C=C(C=C2)C(C)[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O2/c1-8(2)15-11-6-10(9(3)14)4-5-12(11)17-7-13(15)16/h4-6,8-9H,7,14H2,1-3H3/p+1/t9-/m0/s1