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

Systemtic Name: [(1S)-1-[(2R)-2-methyl-3-oxidanylidene-4-prop-2-enyl-1,4-benzoxazin-6-yl]propyl]azanium Openeye Name: [(1S)-1-[(2R)-4-allyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]propyl]ammonium CAS Name: [(1S)-1-[(2R)-2-methyl-3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl]propyl]ammonium IUPAC Name: [(1S)-1-[(2R)-2-methyl-3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl]propyl]azanium Traditional Name: [(1S)-1-[(2R)-4-allyl-3-keto-2-methyl-1,4-benzoxazin-6-yl]propyl]ammonium Formula: C15H21N2O2+ MolecularWeight: 261.33944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)OC(C(=O)N2CC=C)C)[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O2/c1-4-8-17-13-9-11(12(16)5-2)6-7-14(13)19-10(3)15(17)18/h4,6-7,9-10,12H,1,5,8,16H2,2-3H3/p+1/t10-,12+/m1/s1