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

Systemtic Name: [(1S)-1-(2,2-dimethyl-3-oxidanylidene-4-propan-2-yl-1,4-benzoxazin-6-yl)propyl]azanium Openeye Name: [(1S)-1-(4-isopropyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl)propyl]ammonium CAS Name: [(1S)-1-(2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)propyl]ammonium IUPAC Name: [(1S)-1-(2,2-dimethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)propyl]azanium Traditional Name: [(1S)-1-(4-isopropyl-3-keto-2,2-dimethyl-1,4-benzoxazin-6-yl)propyl]ammonium Formula: C16H25N2O2+ MolecularWeight: 277.3819

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2/c1-6-12(17)11-7-8-14-13(9-11)18(10(2)3)15(19)16(4,5)20-14/h7-10,12H,6,17H2,1-5H3/p+1/t12-/m0/s1