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

Systemtic Name: [(1S)-1-[(2R)-2-methyl-4-(2-methylpropyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-[(2R)-4-isobutyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1S)-1-[(2R)-2-methyl-4-(2-methylpropyl)-3-oxo-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[(2R)-2-methyl-4-(2-methylpropyl)-3-oxo-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-[(2R)-4-isobutyl-3-keto-2-methyl-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)N2CC(C)C)C)[NH3+]

Isomeric SMILES

CC[C@@H](C1=CC2=C(C=C1)O[C@@H](C(=O)N2CC(C)C)C)[NH3+]

InChI

InChI=1S/C16H24N2O2/c1-5-13(17)12-6-7-15-14(8-12)18(9-10(2)3)16(19)11(4)20-15/h6-8,10-11,13H,5,9,17H2,1-4H3/p+1/t11-,13+/m1/s1