[5-bromanyl-2-[2-(2-methylpropylamino)-2-oxidanylidene-ethoxy]phenyl]methylazanium

Systemtic Name: [5-bromanyl-2-[2-(2-methylpropylamino)-2-oxidanylidene-ethoxy]phenyl]methylazanium Openeye Name: [5-bromo-2-[2-(isobutylamino)-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [5-bromo-2-[2-(2-methylpropylamino)-2-oxoethoxy]phenyl]methylammonium IUPAC Name: [5-bromo-2-[2-(2-methylpropylamino)-2-oxoethoxy]phenyl]methylazanium Traditional Name: [5-bromo-2-[2-(isobutylamino)-2-keto-ethoxy]benzyl]ammonium Formula: C13H20BrN2O2+ MolecularWeight: 316.2141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC1=C(C=C(C=C1)Br)C[NH3+]

Isomeric SMILES

CC(C)CNC(=O)COC1=C(C=C(C=C1)Br)C[NH3+]

InChI

InChI=1S/C13H19BrN2O2/c1-9(2)7-16-13(17)8-18-12-4-3-11(14)5-10(12)6-15/h3-5,9H,6-8,15H2,1-2H3,(H,16,17)/p+1