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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2/c1-5-6-9-18-13-10-12(11(2)17)7-8-14(13)20-16(3,4)15(18)19/h7-8,10-11H,5-6,9,17H2,1-4H3/p+1/t11-/m0/s1