2-[(5-bromanyl-6-oxidanylidene-pyran-3-yl)carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[(5-bromanyl-6-oxidanylidene-pyran-3-yl)carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[(5-bromo-6-oxo-pyran-3-carbonyl)amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[(5-bromo-6-oxo-3-pyranyl)-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[(5-bromo-6-oxopyran-3-carbonyl)amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[(5-bromo-6-keto-pyran-3-carbonyl)amino]ethyl-diisopropyl-ammonium Formula: C14H22BrN2O3+ MolecularWeight: 346.24008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C1=COC(=O)C(=C1)Br)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)C1=COC(=O)C(=C1)Br)C(C)C

InChI

InChI=1S/C14H21BrN2O3/c1-9(2)17(10(3)4)6-5-16-13(18)11-7-12(15)14(19)20-8-11/h7-10H,5-6H2,1-4H3,(H,16,18)/p+1