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

Systemtic Name: [(1S)-1-[(2R)-2,4-diethyl-3-oxidanylidene-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-[(2R)-2,4-diethyl-3-oxo-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1S)-1-[(2R)-2,4-diethyl-3-oxo-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[(2R)-2,4-diethyl-3-oxo-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-[(2R)-2,4-diethyl-3-keto-1,4-benzoxazin-6-yl]propyl]ammonium Formula: C15H23N2O2+ MolecularWeight: 263.35532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C(CC)[NH3+])CC

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O2/c1-4-11(16)10-7-8-14-12(9-10)17(6-3)15(18)13(5-2)19-14/h7-9,11,13H,4-6,16H2,1-3H3/p+1/t11-,13+/m0/s1