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

Systemtic Name: [(1S)-1-[(2S)-4-butyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]azanium Openeye Name: [(1S)-1-[(2S)-4-butyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]ammonium CAS Name: [(1S)-1-[(2S)-4-butyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-2-methoxyethyl]ammonium IUPAC Name: [(1S)-1-[(2S)-4-butyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-2-methoxyethyl]azanium Traditional Name: [(1S)-1-[(2S)-4-butyl-3-keto-2-methyl-1,4-benzoxazin-6-yl]-2-methoxy-ethyl]ammonium Formula: C16H25N2O3+ MolecularWeight: 293.3813

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC(=C2)C(COC)[NH3+])OC(C1=O)C

Isomeric SMILES

CCCCN1C2=C(C=CC(=C2)[C@@H](COC)[NH3+])O[C@H](C1=O)C

InChI

InChI=1S/C16H24N2O3/c1-4-5-8-18-14-9-12(13(17)10-20-3)6-7-15(14)21-11(2)16(18)19/h6-7,9,11,13H,4-5,8,10,17H2,1-3H3/p+1/t11-,13+/m0/s1